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1elq

CRYSTAL STRUCTURE OF THE CYSTINE C-S LYASE C-DES

Method: X-RAY DIFFRACTION D_max: 92.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1elq
deposition_date	2000-03-14
title	CRYSTAL STRUCTURE OF THE CYSTINE C-S LYASE C-DES
keywords	;FeS cluster biosynthesis, NifS, pyridoxal 5'-phosphate, thiocysteine, LYASE ;; 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	27.95 Å
rg_electron	26.94 Å
i0	108568000.00
molecular_weight	83163.0 kDa
excluded_volume	104210 Å³
envelope_volume	119350 Å³
shell_volume	36466 Å³
envelope_diameter	96.2 Å
shell_rg	35.01 Å
envelope_rg	27.09 Å
shape_rg	26.92 Å
total_rg	27.73 Å
total_atoms	5873
n_residues	762
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	92.8 Å
rg_real	27.90 Å
rg_real_error	0.49 Å
i0_real	1.0860e+08
i0_real_error	1.5190e+06
rg_reciprocal	27.92 Å
i0_reciprocal	108600000.0000
total_estimate	0.8831
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	32.6 Å
skewness	0.346
kurtosis	-0.313
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0001
highest_alpha	56280000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.832; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.982

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	L-CYSTEINE/L-CYSTINE C-S LYASE
formula_weight	42846.6 kDa
mutation	MADPVNLIPDR TO MTMITPSL
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6579

MTMITPSLHQFPGLANKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGLDWHQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGDAAAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRRHQGNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWFAGPAGVGGLYIHGDCLGEINPTYVGWRSITYGAKGEPTGWAEGGKRFEVATSAYPQYAGLLAALQLHQRQGTAEERYQAICQRSEFLWRGLNQLPHVHCLATSAPQAGLVSFTVDSPLGHRAIVQKLEEQRIYLRTIADPDCIRACCHYITDEEEINHLLARLADFGP

Source

organism	Synechocystis sp.
ncbi_taxonomy_id	1147
host_organism	Bacteria

Entity 2 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	PYRIDOXAL-5'-PHOSPHATE
formula_weight	247.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	706

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6. Citations (1)

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length_a	62.400 Å
length_b	65.400 Å
length_c	170.100 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.800 Å
resolution_low	25.000 Å
r_factor	0.2010
r_work	0.1980
r_free	0.2490

fit	/app/data/saxs_computation/el/1elq/1elq.fit
pddf	/app/data/pr_computation/el/1elq/1elq.pr.out
profile	/app/data/saxs_computation/el/1elq/1elq.dat

CRYSTAL STRUCTURE OF THE CYSTINE C-S LYASE C-DES

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