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1cwt

HUMAN CDC25B CATALYTIC DOMAIN WITH METHYL MERCURY

Method: X-RAY DIFFRACTION D_max: 58.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cwt
deposition_date	1999-08-26
title	HUMAN CDC25B CATALYTIC DOMAIN WITH METHYL MERCURY
keywords	HYDROLASE, CELL CYCLE PHOSPHATASE, DUAL SPECIFICITY PROTEIN PHOSPHATASE, CDC25, CDC25B, CELL CYCLE; CELL CYCLE
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	17.51 Å
rg_electron	16.43 Å
i0	8721210.00
molecular_weight	21370.0 kDa
excluded_volume	26521 Å³
envelope_volume	30611 Å³
shell_volume	15699 Å³
envelope_diameter	58.0 Å
shell_rg	22.44 Å
envelope_rg	16.81 Å
shape_rg	16.49 Å
total_rg	17.29 Å
total_atoms	1489
n_residues	178
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	58.7 Å
rg_real	17.43 Å
rg_real_error	0.38 Å
i0_real	8.7210e+06
i0_real_error	1.0130e+05
rg_reciprocal	17.44 Å
i0_reciprocal	8721000.0000
total_estimate	0.8724
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.7 Å
skewness	0.238
kurtosis	-0.275
angular_range	— – 0.4550 Å⁻¹
current_alpha	0.0000
highest_alpha	1805000.0000
n_real_points	76
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.800; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.945

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	CDC25 B-TYPE TYROSINE PHOSPHATASE
formula_weight	21032.1 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1619

DHRELIGDYSKAFLLQTVDGKHQDLKYISPETMVALLTGKFSNIVDKFVIVDCRYPYEYEGGHIKTAVNLPLERDAESFLLKSPIAPCSLDKRVILIFHCEFSSERGPRMCRFIRERDRAVNDYPSLYYPEMYILKGGYKEFFPQHPNFCEPQDYRPMNHEAFKDELKTFRLKTRSWA

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	METHYL MERCURY ION
formula_weight	215.6 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	130

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6. Citations (1)

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length_a	52.166 Å
length_b	72.378 Å
length_c	75.553 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.300 Å
resolution_low	10.000 Å
r_factor	—
r_work	—
r_free	—

fit	/app/data/saxs_computation/cw/1cwt/1cwt.fit
pddf	/app/data/pr_computation/cw/1cwt/1cwt.pr.out
profile	/app/data/saxs_computation/cw/1cwt/1cwt.dat