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1cs1

CYSTATHIONINE GAMMA-SYNTHASE (CGS) FROM ESCHERICHIA COLI

Method: X-RAY DIFFRACTION D_max: 105.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cs1
deposition_date	1998-09-23
title	CYSTATHIONINE GAMMA-SYNTHASE (CGS) FROM ESCHERICHIA COLI
keywords	LYASE, LLP-DEPENDENT ENZYMES, METHIONINE BIOSYNTHESIS; LYASE
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	34.05 Å
rg_electron	33.37 Å
i0	424921000.00
molecular_weight	166090.0 kDa
excluded_volume	207540 Å³
envelope_volume	240560 Å³
shell_volume	57165 Å³
envelope_diameter	109.5 Å
shell_rg	42.62 Å
envelope_rg	33.52 Å
shape_rg	33.37 Å
total_rg	33.93 Å
total_atoms	11691
n_residues	1532
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	105.4 Å
rg_real	33.88 Å
rg_real_error	0.51 Å
i0_real	4.2490e+08
i0_real_error	5.7910e+06
rg_reciprocal	33.99 Å
i0_reciprocal	425000000.0000
total_estimate	0.9017
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	43.5 Å
skewness	0.141
kurtosis	-0.542
angular_range	— – 0.2300 Å⁻¹
current_alpha	0.0000
highest_alpha	248200000.0000
n_real_points	47
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.933; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.939

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (CYSTATHIONINE GAMMA-SYNTHASE)
formula_weight	41825.4 kDa
ec_number	4.2.99.9
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	12992

MTRKQATIAVRSGLNDDEQYGCVVPPIHLSSTYNFTGFNEPRAHDYSRRGNPTRDVVQRALAELEGGAGAVLTNTGMSAIHLVTTVFLKPGDLLVAPHDCYGGSYRLFDSLAKRGCYRVLFVDQGDEQALRAALAEKPKLVLVESPSNPLLRVVDIAKICHLAREVGAVSVVDNTFLSPALQNPLALGADLVLHSCTKYLNGHSDVVAGVVIAKDPDVVTELAWWANNIGVTGGAFDSYLLLRGLRTLVPRMELAQRNAQAIVKYLQTQPLVKKLYHPSLPENQGHEIAARQQKGFGAMLSFELDGDEQTLRRFLGGLSLFTLAESLGGVESLISHAATMTHAGMAPEARAAAGISETLLRISTGIEDGEDLIADLENGFRAANKG

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	2,4-DIOXO-PENTANEDIOIC ACID
formula_weight	160.1 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1301

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6. Citations (2)

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length_a	160.040 Å
length_b	61.300 Å
length_c	153.840 Å
angle_alpha	90.00 °
angle_beta	104.18 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.500 Å
resolution_low	8.000 Å
r_factor	0.2000
r_work	0.2000
r_free	0.2550

fit	/app/data/saxs_computation/cs/1cs1/1cs1.fit
pddf	/app/data/pr_computation/cs/1cs1/1cs1.pr.out
profile	/app/data/saxs_computation/cs/1cs1/1cs1.dat

CYSTATHIONINE GAMMA-SYNTHASE (CGS) FROM ESCHERICHIA COLI

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