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1b3f

OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH KHK

Method: X-RAY DIFFRACTION D_max: 75.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b3f
deposition_date	1998-12-14
title	OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH KHK
keywords	COMPLEX (PEPTIDE TRANSPORT-PEPTIDE), PEPTIDE TRANSPORT, PEPTIDE BINDING PROTEIN; PEPTIDE BINDING PROTEIN
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	24.41 Å
rg_electron	23.17 Å
i0	64440100.00
molecular_weight	61118.0 kDa
excluded_volume	74979 Å³
envelope_volume	84459 Å³
shell_volume	29698 Å³
envelope_diameter	79.7 Å
shell_rg	30.96 Å
envelope_rg	23.33 Å
shape_rg	22.97 Å
total_rg	24.55 Å
total_atoms	4202
n_residues	520
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	75.7 Å
rg_real	24.29 Å
rg_real_error	0.45 Å
i0_real	6.4440e+07
i0_real_error	8.0550e+05
rg_reciprocal	24.32 Å
i0_reciprocal	64440000.0000
total_estimate	0.8827
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.0 Å
skewness	0.225
kurtosis	-0.396
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0000
highest_alpha	10120000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.920; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.715

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN)
formula_weight	58879.0 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4664

ADVPAGVQLADKQTLVRNNGSEVQSLDPHKIEGVPESNVSRDLFEGLLISDVEGHPSPGVAEKWENKDFKVWTFHLRENAKWSDGTPVTAHDFVYSWQRLADPNTASPYASYLQYGHIANIDDIIAGKKPATDLGVKALDDHTFEVTLSEPVPYFYKLLVHPSVSPVPKSAVEKFGDKWTQPANIVTNGAYKLKNWVVNERIVLERNPQYWDNAKTVINQVTYLPISSEVTDVNRYRSGEIDMTYNNMPIELFQKLKKEIPNEVRVDPYLCTYYYEINNQKAPFNDVRVRTALKLALDRDIIVNKVKNQGDLPAYSYTPPYTDGAKLVEPEWFKWSQQKRNEEAKKLLAEAGFTADKPLTFDLLYNTSDLHKKLAIAVASIWKKNLGVNVNLENQEWKTFLDTRHQGTFDVARAGWCADYNEPTSFLNTMLSDSSNNTAHYKSPAFDKLIADTLKVADDTQRSELYAKAEQQLDKDSAIVPVYYYVNARLVKPWVGGYTGKDPLDNIYVKNLYIIKH

Source

organism	Salmonella typhimurium
ncbi_taxonomy_id	602
host_organism	Escherichia coli

Entity 2 polymer

description	PROTEIN (LYS-HIS-LYS)
formula_weight	414.5 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

KHK

Entity 3 non-polymer

description	URANYL (VI) ION
formula_weight	270.0 kDa
src_method	syn
entity_count	8

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	454

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6. Citations (5)

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length_a	109.936 Å
length_b	75.892 Å
length_c	70.594 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.800 Å
resolution_low	15.000 Å
r_factor	—
r_work	0.1772
r_free	0.2170

fit	/app/data/saxs_computation/b3/1b3f/1b3f.fit
pddf	/app/data/pr_computation/b3/1b3f/1b3f.pr.out
profile	/app/data/saxs_computation/b3/1b3f/1b3f.dat

OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH KHK

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 water

6. Citations (5)

7. Files & Curves (10)

Files (7)

Curves (3)