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1evf

CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI

Method: X-RAY DIFFRACTION D_max: 60.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1evf
deposition_date	2000-04-19
title	CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI
keywords	Thr167 E. coli Thymidylate Synthase, TRANSFERASE; TRANSFERASE
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	19.80 Å
rg_electron	18.29 Å
i0	17397000.00
molecular_weight	31050.0 kDa
excluded_volume	38594 Å³
envelope_volume	44655 Å³
shell_volume	20100 Å³
envelope_diameter	61.0 Å
shell_rg	24.85 Å
envelope_rg	18.46 Å
shape_rg	18.28 Å
total_rg	19.24 Å
total_atoms	2180
n_residues	259
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	60.8 Å
rg_real	19.63 Å
rg_real_error	0.28 Å
i0_real	1.7400e+07
i0_real_error	2.1110e+05
rg_reciprocal	19.66 Å
i0_reciprocal	17400000.0000
total_estimate	0.9010
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	26.6 Å
skewness	0.065
kurtosis	-0.499
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	3098000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.914; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.979

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	THYMIDYLATE SYNTHASE
formula_weight	30878.2 kDa
ec_number	2.1.1.45
mutation	S167T
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2486

MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRTCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEGYDPHPGIKAPVAI

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	3

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	306

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6. Citations (1)

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length_a	132.491 Å
length_b	132.491 Å
length_c	132.491 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	I 21 3
int_tables_number	199
crystal_system	—

resolution	1.700 Å
resolution_low	6.000 Å
r_factor	0.1900
r_work	0.1900
r_free	0.2120

fit	/app/data/saxs_computation/ev/1evf/1evf.fit
pddf	/app/data/pr_computation/ev/1evf/1evf.pr.out
profile	/app/data/saxs_computation/ev/1evf/1evf.dat

CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF 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