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1ebb

Bacillus stearothermophilus YhfR

Method: X-RAY DIFFRACTION D_max: 57.6 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ebb
deposition_date	2001-07-24
title	Bacillus stearothermophilus YhfR
keywords	HYDROLASE, BROAD SPECIFICITY PHOSPHATASE; DPGM HOMOLOG; HYDROLASE
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	18.08 Å
rg_electron	16.74 Å
i0	11224800.00
molecular_weight	23761.0 kDa
excluded_volume	29215 Å³
envelope_volume	32882 Å³
shell_volume	16530 Å³
envelope_diameter	58.6 Å
shell_rg	22.79 Å
envelope_rg	16.94 Å
shape_rg	16.70 Å
total_rg	17.75 Å
total_atoms	1666
n_residues	202
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	57.6 Å
rg_real	17.99 Å
rg_real_error	0.34 Å
i0_real	1.1220e+07
i0_real_error	1.2830e+05
rg_reciprocal	18.00 Å
i0_reciprocal	11220000.0000
total_estimate	0.6794
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	23.4 Å
skewness	0.213
kurtosis	-0.355
angular_range	— – 0.4400 Å⁻¹
current_alpha	0.0000
highest_alpha	1933000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.870; Stabil: 1.000; Sysdev: 0.408; Positv: 1.000; Valcen: 0.996; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PHOSPHATASE
formula_weight	23062.0 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1749

ATTLYLTRHGETKWNVERRMQGWQDSPLTEKGRQDAMRLGKRLEAVELAAIYTSTSGRALETAEIVRGGRLIPIYQDERLREIHLGDWEGKTHDEIRQMDPIAFDHFWQAPHLYAPQRGERFCDVQQRALEAVQSIVDRHEGETVLIVTHGVVLKTLMAAFKDTPLDHLWSPPYMYGTSVTIIEVDGGTFHVAVEGDVSHIE

Source

organism	BACILLUS STEAROTHERMOPHILUS
ncbi_taxonomy_id	1422
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	5

Entity 3 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	3

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	33

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6. Citations (2)

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length_a	55.200 Å
length_b	55.200 Å
length_c	164.430 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	2.300 Å
resolution_low	45.830 Å
r_factor	0.2300
r_work	0.2300
r_free	0.2630

fit	/app/data/saxs_computation/eb/1ebb/1ebb.fit
pddf	/app/data/pr_computation/eb/1ebb/1ebb.pr.out
profile	/app/data/saxs_computation/eb/1ebb/1ebb.dat

Bacillus stearothermophilus YhfR

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