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1f52

CRYSTAL STRUCTURE OF GLUTAMINE SYNTHETASE FROM SALMONELLA TYPHIMURIUM CO-CRYSTALLIZED WITH ADP

Method: X-RAY DIFFRACTION D_max: 157.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f52
deposition_date	2000-06-12
title	CRYSTAL STRUCTURE OF GLUTAMINE SYNTHETASE FROM SALMONELLA TYPHIMURIUM CO-CRYSTALLIZED WITH ADP
keywords	glutamine synthetase, ADP, MPD, LIGASE; LIGASE
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	54.47 Å
rg_electron	54.01 Å
i0	5715730000.00
molecular_weight	629230.0 kDa
excluded_volume	782450 Å³
envelope_volume	1019900 Å³
shell_volume	144580 Å³
envelope_diameter	160.5 Å
shell_rg	67.03 Å
envelope_rg	52.57 Å
shape_rg	53.97 Å
total_rg	54.39 Å
total_atoms	44184
n_residues	5616
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	157.9 Å
rg_real	54.08 Å
rg_real_error	0.62 Å
i0_real	5.7160e+09
i0_real_error	8.4610e+07
rg_reciprocal	54.79 Å
i0_reciprocal	5722000000.0000
total_estimate	0.8632
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	76.2 Å
skewness	-0.048
kurtosis	-0.596
angular_range	— – 0.1450 Å⁻¹
current_alpha	0.0001
highest_alpha	482700000.0000
n_real_points	30
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.952; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.957; Smooth: 0.405

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	GLUTAMINE SYNTHETASE
formula_weight	51744.4 kDa
ec_number	6.3.1.2
src_method	man
entity_count	12

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F,G,H,I,J,K,L
atom_count	47688

SAEHVLTMLNEHEVKFVDLRFTDTKGKEQHVTIPAHQVNAEFFEEGKMFDGSSIGGWKGINESDMVLMPDASTAVIDPFFADSTLIIRCDILEPGTLQGYDRDPRSIAKRAEDYLRATGIADTVLFGPEPEFFLFDDIRFGASISGSHVAIDDIEGAWNSSTKYEGGNKGHRPGVKGGYFPVPPVDSAQDIRSEMCLVMEQMGLVVEAHHHEVATAGQNEVATRFNTMTKKADEIQIYKYVVHNVAHRFGKTATFMPKPMFGDNGSGMHCHMSLAKNGTNLFSGDKYAGLSEQALYYIGGVIKHAKAINALANPTTNSYKRLVPGYEAPVMLAYSARNRSASIRIPVVASPKARRIEVRFPDPAANPYLCFAALLMAGLDGIKNKIHPGEPMDKNLYDLPPEEAKEIPQVAGSLEEALNALDLDREFLKAGGVFTDEAIDAYIALRREEDDRVRMTPHPVEFELYYSV

Source

organism	Salmonella typhimurium
ncbi_taxonomy_id	602
host_organism	Escherichia coli

Entity 2 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	24

Entity 3 non-polymer

description	ADENOSINE-5'-DIPHOSPHATE
formula_weight	427.2 kDa
src_method	syn
entity_count	12

Entity 4 non-polymer

description	(4S)-2-METHYL-2,4-PENTANEDIOL
formula_weight	118.2 kDa
src_method	syn
entity_count	24

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	3504

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6. Citations (1)

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length_a	230.600 Å
length_b	132.500 Å
length_c	195.900 Å
angle_alpha	90.00 °
angle_beta	102.40 °
angle_gamma	90.00 °
z_pdb	48

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.490 Å
resolution_low	34.900 Å
r_factor	0.2434
r_work	0.2432
r_free	0.2570

fit	/app/data/saxs_computation/f5/1f52/1f52.fit
pddf	/app/data/pr_computation/f5/1f52/1f52.pr.out
profile	/app/data/saxs_computation/f5/1f52/1f52.dat