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1d6s

CRYSTAL STRUCTURE OF THE K41A MUTANT OF O-ACETYLSERINE SULFHYDRYLASE COMPLEXED IN EXTERNAL ALDIMINE LINKAGE WITH METHIONINE

Method: X-RAY DIFFRACTION D_max: 83.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d6s
deposition_date	1999-10-15
title	CRYSTAL STRUCTURE OF THE K41A MUTANT OF O-ACETYLSERINE SULFHYDRYLASE COMPLEXED IN EXTERNAL ALDIMINE LINKAGE WITH METHIONINE
keywords	CYSTEINE BIOSYNTHESIS, BETA REPLACEMENT ENZYME, PLP, K41A, 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	25.35 Å
rg_electron	24.36 Å
i0	76812200.00
molecular_weight	69502.0 kDa
excluded_volume	87562 Å³
envelope_volume	101250 Å³
shell_volume	33414 Å³
envelope_diameter	86.1 Å
shell_rg	32.73 Å
envelope_rg	24.62 Å
shape_rg	24.37 Å
total_rg	25.20 Å
total_atoms	4882
n_residues	644
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	83.0 Å
rg_real	25.24 Å
rg_real_error	0.42 Å
i0_real	7.6810e+07
i0_real_error	1.0580e+06
rg_reciprocal	25.28 Å
i0_reciprocal	76810000.0000
total_estimate	0.8849
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.3 Å
skewness	0.232
kurtosis	-0.374
angular_range	— – 0.3150 Å⁻¹
current_alpha	0.0000
highest_alpha	24120000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.840; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.980

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	O-ACETYLSERINE SULFHYDRYLASE
formula_weight	34412.3 kDa
ec_number	4.2.99.8
mutation	K41A
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5115

SKIYEDNSLTIGHTPLVRLNRIGNGRILAKVESRNPSFSVACRIGANMIWDAEKRGVLKPGVELVEPTNGNTGIALAYVAAARGYKLTLTMPETMSIERRKLLKALGANLVLTEGAKGMKGAIQKAEEIVASDPQKYLLLQQFSNPANPEIHEKTTGPEIWEDTDGQVDVFISGVGTGGTLTGVTRYIKGTKGKTDLITVAVEPTDSPVIAQALAGEEIKPGPHKIQGIGAGFIPGNLDLKLIDKVVGITNEEAISTARRLMEEEGILAGISSGAAVAAALKLQEDESFTNKNIVVILPSSGERYLSTALFADLFTEKELQQ

Source

organism	Salmonella typhimurium
ncbi_taxonomy_id	602
host_organism	Escherichia coli

Entity 2 non-polymer

description	METHIONINE
formula_weight	149.2 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	233

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6. Citations (2)

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length_a	96.940 Å
length_b	149.930 Å
length_c	53.640 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.300 Å
resolution_low	29.670 Å
r_factor	0.1740
r_work	0.1740
r_free	0.2230

fit	/app/data/saxs_computation/d6/1d6s/1d6s.fit
pddf	/app/data/pr_computation/d6/1d6s/1d6s.pr.out
profile	/app/data/saxs_computation/d6/1d6s/1d6s.dat

CRYSTAL STRUCTURE OF THE K41A MUTANT OF O-ACETYLSERINE SULFHYDRYLASE COMPLEXED IN EXTERNAL ALDIMINE LINKAGE WITH METHIONINE

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