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1cl2

CYSTATHIONINE BETA-LYASE (CBL) FROM ESCHERICHIA COLI IN COMPLEX WITH AMINOETHOXYVINYLGLYCINE

Method: X-RAY DIFFRACTION D_max: 106.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cl2
deposition_date	1997-09-04
title	CYSTATHIONINE BETA-LYASE (CBL) FROM ESCHERICHIA COLI IN COMPLEX WITH AMINOETHOXYVINYLGLYCINE
keywords	METHIONINE BIOSYNTHESIS, PLP-DEPENDENT ENZYMES, C-S BETA LYASE, AMINOETHOXYVINYLGLYCINE, SLOW-BINDING INHIBITION; METHIONINE BIOSYNTHESIS
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	33.83 Å
rg_electron	33.51 Å
i0	112115000.00
molecular_weight	85346.0 kDa
excluded_volume	106870 Å³
envelope_volume	135860 Å³
shell_volume	33454 Å³
envelope_diameter	110.6 Å
shell_rg	41.13 Å
envelope_rg	32.68 Å
shape_rg	33.54 Å
total_rg	33.96 Å
total_atoms	7325
n_residues	783
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	106.5 Å
rg_real	33.87 Å
rg_real_error	1.01 Å
i0_real	1.1210e+08
i0_real_error	1.7490e+06
rg_reciprocal	33.85 Å
i0_reciprocal	112100000.0000
total_estimate	0.8804
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	27.2 Å
skewness	0.228
kurtosis	-0.823
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	35610000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.891; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.862; Smooth: 0.906

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	CYSTATHIONINE BETA-LYASE
formula_weight	43261.3 kDa
ec_number	4.4.1.8
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8615

MADKKLDTQLVNAGRSKKYTLGAVNSVIQRASSLVFDSVEAKKHATRNRANGELFYGRRGTLTHFSLQQAMCELEGGAGCVLFPCGAAAVANSILAFIEQGDHVLMTNTAYEPSQDFCSKILSKLGVTTSWFDPLIGADIVKHLQPNTKIVFLESPGSITMEVHDVPAIVAAVRSVVPDAIIMIDNTWAAGVLFKALDFGIDVSIQAATKYLVGHSDAMIGTAVCNARCWEQLRENAYLMGQMVDADTAYITSRGLRTLGVRLRQHHESSLKVAEWLAEHPQVARVNHPALPGSKGHEFWKRDFTGSSGLFSFVLKKKLNNEELANYLDNFSLFSMAYSWGGYESLILANQPEHIAAIRPQGEIDFSGTLIRLHIGLEDVDDLIADLDAGFARIV

Source

organism	Escherichia coli
ncbi_taxonomy_id	83333
host_organism	Escherichia coli

Entity 2 non-polymer

description	(2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid
formula_weight	389.3 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	430

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6. Citations (2)

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length_a	61.100 Å
length_b	154.700 Å
length_c	152.300 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.200 Å
resolution_low	8.000 Å
r_factor	0.1640
r_work	0.1640
r_free	—

fit	/app/data/saxs_computation/cl/1cl2/1cl2.fit
pddf	/app/data/pr_computation/cl/1cl2/1cl2.pr.out
profile	/app/data/saxs_computation/cl/1cl2/1cl2.dat

CYSTATHIONINE BETA-LYASE (CBL) FROM ESCHERICHIA COLI IN COMPLEX WITH AMINOETHOXYVINYLGLYCINE

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