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1csm

THE CRYSTAL STRUCTURE OF ALLOSTERIC CHORISMATE MUTASE AT 2.2 ANGSTROMS RESOLUTION

Method: X-RAY DIFFRACTION D_max: 90.2 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1csm
deposition_date	1994-08-22
title	THE CRYSTAL STRUCTURE OF ALLOSTERIC CHORISMATE MUTASE AT 2.2 ANGSTROMS RESOLUTION
keywords	ISOMERASE; ISOMERASE
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	24.79 Å
rg_electron	24.08 Å
i0	52379700.00
molecular_weight	59148.0 kDa
excluded_volume	75252 Å³
envelope_volume	87732 Å³
shell_volume	30360 Å³
envelope_diameter	93.9 Å
shell_rg	31.38 Å
envelope_rg	24.29 Å
shape_rg	24.05 Å
total_rg	25.01 Å
total_atoms	5104
n_residues	504
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	90.2 Å
rg_real	25.88 Å
rg_real_error	0.32 Å
i0_real	5.2520e+07
i0_real_error	5.8830e+05
rg_reciprocal	24.78 Å
i0_reciprocal	52380000.0000
total_estimate	0.6321
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	30.1 Å
skewness	0.638
kurtosis	0.445
angular_range	— – 0.3200 Å⁻¹
current_alpha	3.6910
highest_alpha	31590000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.655; Stabil: 0.888; Sysdev: 0.000; Positv: 1.000; Valcen: 0.931; Smooth: 0.701

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	CHORISMATE MUTASE
formula_weight	29801.2 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5395

MDFTKPETVLNLQNIRDELVRMEDSIIFKFIERSHFATCPSVYEANHPGLEIPNFKGSFLDWALSNLEIAHSRIRRFESPDETPFFPDKIQKSFLPSINYPQILAPYAPEVNYNDKIKKVYIEKIIPLISKRDGDDKNNFGSVATRDIECLQSLSRRIHFGKFVAEAKFQSDIPLYTKLIKSKDVEGIMKNITNSAVEEKILERLTKKAEVYGVDPTNESGERRIIPEYLVKIYKEIVIPITKEVEVEYLLRRLEE

Source

organism	Saccharomyces cerevisiae
common_name	;baker's yeast ;
ncbi_taxonomy_id	4932

Entity 2 non-polymer

description	TRYPTOPHAN
formula_weight	204.2 kDa
ec_number	4.1.3.27
mutation	ALLELE MUTANT, THR 226 ILE
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	97

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6. Citations (1)

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length_a	95.800 Å
length_b	95.800 Å
length_c	157.900 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 61
int_tables_number	169
crystal_system	—

resolution	2.200 Å
resolution_low	8.000 Å
r_factor	0.1960
r_work	0.1960
r_free	0.3100

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