3fzb

Crystal structure of the tail terminator protein from phage lambda (gpU-WT)

Method: X-RAY DIFFRACTION D_max: 108.5 Å Quality: GOOD

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1. Protein Identity and Related Structures Protein Identity & Related Structures

Minor tail protein U

Enterobacteria phage lambda

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein homooligomer Homooligomer Protein × 5 PDB declaration: pentameric（5） Consistent with protein copy count	Chain A； UniProt 1–131 Chain B； UniProt 1–131 Chain F； UniProt 1–131 Chain H； UniProt 1–131 Chain I； UniProt 1–131	Not recorded	SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.2M Tri-sodium citrate, 2.2M Ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.80 Å R-free 0.309
2	Protein homooligomer Homooligomer Protein × 5 PDB declaration: pentameric（5） Consistent with protein copy count	Chain C； UniProt 1–131 Chain D； UniProt 1–131 Chain E； UniProt 1–131 Chain G； UniProt 1–131 Chain J； UniProt 1–131	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.2M Tri-sodium citrate, 2.2M Ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.80 Å R-free 0.309

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 3FZB	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1Z1Z NMR structure of the gpu tail protein from lambda bacteriophage Deposited 2005-03-07	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–131（131 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 7.8；293 K；Ionic strength (raw mmCIF value) 50 mM KCl；Pressure 1 NMR sample composition 0.9 mM gpU, U-15N,13C, 10 mM Tris-d11, pH 7.8, 50 mM potassium chloride, 0.02% sodium azide, 10% D2O, 90% H2O \| 10% D2O, 90% H2O	Resolution not provided
3FZ2 Crystal structure of the tail terminator protein from phage lambda (gpU-D74A) Deposited 2009-01-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric	Chain A 1–131（131 aa） Chain B 1–131（131 aa） Chain E 1–131（131 aa） Chain F 1–131（131 aa） Chain I 1–131（131 aa） Chain K 1–131（131 aa）	Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF)	SO4 SULFATE ION × 7	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.2M Di-ammonium tartrate, 2.2M Ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.70 Å R-free 0.283
3FZ2 Crystal structure of the tail terminator protein from phage lambda (gpU-D74A) Deposited 2009-01-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric	Chain C 1–131（131 aa） Chain D 1–131（131 aa） Chain G 1–131（131 aa） Chain H 1–131（131 aa） Chain J 1–131（131 aa） Chain L 1–131（131 aa）	Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF)	SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.2M Di-ammonium tartrate, 2.2M Ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.70 Å R-free 0.283
3FZ2 Crystal structure of the tail terminator protein from phage lambda (gpU-D74A) Deposited 2009-01-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric	Chain A 1–131（131 aa） Chain B 1–131（131 aa） Chain C 1–131（131 aa） Chain D 1–131（131 aa） Chain E 1–131（131 aa） Chain F 1–131（131 aa） Chain G 1–131（131 aa） Chain H 1–131（131 aa） Chain I 1–131（131 aa） Chain J 1–131（131 aa） Chain K 1–131（131 aa） Chain L 1–131（131 aa）	Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D74A Non-standard monomer：Yes (specific site not provided by mmCIF)	SO4 SULFATE ION × 13	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.2M Di-ammonium tartrate, 2.2M Ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.70 Å R-free 0.283
8IYD Tail cap of phage lambda tail Deposited 2023-04-04	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 30 PDB declaration: 30-meric	Chain G 1–131（131 aa） Chain K 1–131（131 aa） Chain Q 1–131（131 aa） Chain U 1–131（131 aa） Chain W 1–131（131 aa） Chain u 1–131（131 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen NITROGEN	Resolution 3.10 Å
8K37 Structure of the bacteriophage lambda neck Deposited 2023-07-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 18 PDB declaration: octadecameric	Chain A 1–131（131 aa） Chain B 1–131（131 aa） Chain C 1–131（131 aa） Chain D 1–131（131 aa） Chain E 1–131（131 aa） Chain F 1–131（131 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.50 Å
8XOW Mature virion portal of bacteriophage lambda Deposited 2024-01-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 36 PDB declaration: 36-meric	Chain U 1–131（131 aa） Chain U1 1–131（131 aa） Chain U2 1–131（131 aa） Chain U3 1–131（131 aa） Chain U4 1–131（131 aa） Chain U5 1–131（131 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen NITROGEN	Resolution 3.32 Å
8XPM Mature virion portal of phage lambda with DNA Deposited 2024-01-04	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 66 PDB declaration: 68-meric	Chain U 1–131（131 aa） Chain U1 1–131（131 aa） Chain U2 1–131（131 aa） Chain U3 1–131（131 aa） Chain U4 1–131（131 aa） Chain U5 1–131（131 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen NITROGEN	Resolution 3.90 Å
8XQB Mature virion portal vertex of bacteriophage lambda Deposited 2024-01-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 71 PDB declaration: 71-meric	Chain U 1–131（131 aa） Chain U1 1–131（131 aa） Chain U2 1–131（131 aa） Chain U3 1–131（131 aa） Chain U4 1–131（131 aa） Chain U5 1–131（131 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen NITROGEN	Resolution 4.07 Å

7 other PDB entries and 9 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	VMTU_LAMBD
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 4–134； UniProt 1–131 Author chain B； PDBConstruct 4–134； UniProt 1–131 Author chain C； PDBConstruct 4–134； UniProt 1–131 Author chain D； PDBConstruct 4–134； UniProt 1–131 Author chain E； PDBConstruct 4–134； UniProt 1–131 Author chain F； PDBConstruct 4–134； UniProt 1–131 Author chain G； PDBConstruct 4–134； UniProt 1–131 Author chain H； PDBConstruct 4–134； UniProt 1–131 Author chain I； PDBConstruct 4–134； UniProt 1–131 Author chain J； PDBConstruct 4–134； UniProt 1–131

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	3fzb
Deposition date deposition_date	2009-01-24
Structure title title	Crystal structure of the tail terminator protein from phage lambda (gpU-WT)
Keywords keywords	Mixed Alpha-Beta fold, VIRAL PROTEIN; VIRAL PROTEIN
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	34.99 Å
Radius of gyration Rg (electron density) rg_electron	34.33 Å
Forward intensity I(0) i0	291271000.00
Molecular weight molecular_weight	136350.0 kDa
Excluded volume excluded_volume	169440 Å³
Envelope volume envelope_volume	224850 Å³
Hydration-shell volume shell_volume	53467 Å³
Envelope diameter envelope_diameter	111.7 Å
Shell Rg shell_rg	41.92 Å
Envelope Rg envelope_rg	33.52 Å
Shape Rg shape_rg	34.27 Å
Total Rg total_rg	35.09 Å
Total atoms total_atoms	9639
Residues n_residues	1289
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	108.5 Å
Rg (real space) rg_real	34.79 Å
Rg uncertainty (real space) rg_real_error	0.67 Å
I(0) (real space) i0_real	2.9130e+08
I(0) uncertainty (real space) i0_real_error	4.3980e+06
Rg (reciprocal space) rg_reciprocal	34.92 Å
I(0) (reciprocal space) i0_reciprocal	291300000.0000
Solution quality estimate total_estimate	0.8877
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	45.8 Å
Skewness Skewness skewness	0.125
Kurtosis Kurtosis kurtosis	-0.403
Angular range angular_range	— – 0.2250 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	61980000.0000
Real-space data points n_real_points	46
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.878; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.977; Smooth: 0.925

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	Minor tail protein U
Molecular weight formula_weight	14941.4 kDa
Source method src_method	man
Copy count entity_count	10

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D,E,F,G,H,I,J
Atom count atom_count	9748

GSHMKHTELRAAVLDALEKHDTGATFFDGRPAVFDEADFPAVAVYLTGAEYTGEELDSDTWQAELHIEVFLPAQVPDSELDAWMESRIYPVMSDIPALSDLITSMVASGYDYRRDDDAGLWSSADLTYVITYEM

来源 Source

来源生物 organism	Enterobacteria phage lambda
通用名 common_name	Bacteriophage lambda
NCBI Class编号 ncbi_taxonomy_id	10710
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	109

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7. Fold Classification (SCOP + CATH) 27 domains

SCOP 2.08 (17 domains)

Domain ID domain_id	d3fzba1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.323 — Phage tail protein-like
Superfamily Superfamily superfamily	d.323.1 — Phage tail protein-like
Family Family family	d.323.1.1 — Lambda phage gpU-like

Domain ID domain_id	d3fzba2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

Domain ID domain_id	d3fzbb1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.323 — Phage tail protein-like
Superfamily Superfamily superfamily	d.323.1 — Phage tail protein-like
Family Family family	d.323.1.1 — Lambda phage gpU-like

Domain ID domain_id	d3fzbb2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

Domain ID domain_id	d3fzbc1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.323 — Phage tail protein-like
Superfamily Superfamily superfamily	d.323.1 — Phage tail protein-like
Family Family family	d.323.1.1 — Lambda phage gpU-like

Domain ID domain_id	d3fzbc2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

Domain ID domain_id	d3fzbd1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.323 — Phage tail protein-like
Superfamily Superfamily superfamily	d.323.1 — Phage tail protein-like
Family Family family	d.323.1.1 — Lambda phage gpU-like

Domain ID domain_id	d3fzbd2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

Domain ID domain_id	d3fzbe_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.323 — Phage tail protein-like
Superfamily Superfamily superfamily	d.323.1 — Phage tail protein-like
Family Family family	d.323.1.1 — Lambda phage gpU-like

Domain ID domain_id	d3fzbf1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.323 — Phage tail protein-like
Superfamily Superfamily superfamily	d.323.1 — Phage tail protein-like
Family Family family	d.323.1.1 — Lambda phage gpU-like

Domain ID domain_id	d3fzbf2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

Domain ID domain_id	d3fzbg1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.323 — Phage tail protein-like
Superfamily Superfamily superfamily	d.323.1 — Phage tail protein-like
Family Family family	d.323.1.1 — Lambda phage gpU-like

Domain ID domain_id	d3fzbg2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

Domain ID domain_id	d3fzbh_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.323 — Phage tail protein-like
Superfamily Superfamily superfamily	d.323.1 — Phage tail protein-like
Family Family family	d.323.1.1 — Lambda phage gpU-like

Domain ID domain_id	d3fzbi_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.323 — Phage tail protein-like
Superfamily Superfamily superfamily	d.323.1 — Phage tail protein-like
Family Family family	d.323.1.1 — Lambda phage gpU-like

Domain ID domain_id	d3fzbj1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.323 — Phage tail protein-like
Superfamily Superfamily superfamily	d.323.1 — Phage tail protein-like
Family Family family	d.323.1.1 — Lambda phage gpU-like

Domain ID domain_id	d3fzbj2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

CATH v4.4 (10 domains)

Domain ID domain_id	3fzbA00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	1700 — Phage minor tail protein U

Domain ID domain_id	3fzbB00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	1700 — Phage minor tail protein U

Domain ID domain_id	3fzbC00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	1700 — Phage minor tail protein U

Domain ID domain_id	3fzbD00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	1700 — Phage minor tail protein U

Domain ID domain_id	3fzbE00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	1700 — Phage minor tail protein U

Domain ID domain_id	3fzbF00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	1700 — Phage minor tail protein U

Domain ID domain_id	3fzbG00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	1700 — Phage minor tail protein U

Domain ID domain_id	3fzbH00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	1700 — Phage minor tail protein U

Domain ID domain_id	3fzbI00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	1700 — Phage minor tail protein U

Domain ID domain_id	3fzbJ00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	1700 — Phage minor tail protein U

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8. Citations (1)

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Unit-cell length a length_a	74.100 Å
Unit-cell length b length_b	127.990 Å
Unit-cell length c length_c	82.910 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	108.92 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	20

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	—

Resolution resolution	2.800 Å
Low-resolution limit resolution_low	70.100 Å
R factor r_factor	0.2360
R_work r_work	0.2360
R_free r_free	0.3090

fit	/app/data/saxs_computation/fz/3fzb/3fzb.fit
pddf	/app/data/pr_computation/fz/3fzb/3fzb.pr.out
profile	/app/data/saxs_computation/fz/3fzb/3fzb.dat