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1cvm

CADMIUM INHIBITED CRYSTAL STRUCTURE OF PHYTASE FROM BACILLUS AMYLOLIQUEFACIENS

Method: X-RAY DIFFRACTION D_max: 61.9 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cvm
deposition_date	1999-08-24
title	CADMIUM INHIBITED CRYSTAL STRUCTURE OF PHYTASE FROM BACILLUS AMYLOLIQUEFACIENS
keywords	THERMOSTABLE BACILLUS PHYTASE PHYTATE PHOSPHATASE CADMIUM CALCIUM, HYDROLASE; 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	19.96 Å
rg_electron	18.84 Å
i0	28864800.00
molecular_weight	39427.0 kDa
excluded_volume	48266 Å³
envelope_volume	54884 Å³
shell_volume	23269 Å³
envelope_diameter	64.5 Å
shell_rg	26.34 Å
envelope_rg	19.19 Å
shape_rg	18.85 Å
total_rg	19.69 Å
total_atoms	2744
n_residues	353
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	61.9 Å
rg_real	19.78 Å
rg_real_error	0.23 Å
i0_real	2.8860e+07
i0_real_error	3.6740e+05
rg_reciprocal	19.80 Å
i0_reciprocal	28870000.0000
total_estimate	0.7080
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	27.0 Å
skewness	0.081
kurtosis	-0.406
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	7399000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.868; Stabil: 1.000; Sysdev: 0.210; Positv: 1.000; Valcen: 0.984; Smooth: 0.982

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PHYTASE
formula_weight	38821.6 kDa
ec_number	3.1.3.8
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2797

KLSDPYHFTVNAAAETEPVDTAGDAADDPAIWLDPKNPQNSKLITTNKKSGLAVYSLEGKMLHSYHTGKLNNVDIRYDFPLNGKKVDIAAASNRSEGKNTIEIYAIDGKNGTLQSITDPNRPIASAIDEVYGFSLYHSQKTGKYYAMVTGKEGEFEQYELNADKNGYISGKKVRAFKMNSQTEGMAADDEYGSLYIAEEDEAIWKFSAEPDGGSNGTVIDRADGRHLTPDIEGLTIYYAADGKGYLLASSQGNSSYAIYERQGQNKYVADFQITDGPETDGTSDTDGIDVLGFGLGPEYPFGLFVAQNGENIDHGQKANQNFKMVPWERIADKIGFHPQVNKQVDPRKMTDRS

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	CADMIUM ION
formula_weight	112.4 kDa
src_method	syn
entity_count	5

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	53

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6. Citations (2)

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length_a	51.090 Å
length_b	65.010 Å
length_c	105.540 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	2.400 Å
resolution_low	8.000 Å
r_factor	0.2000
r_work	0.2000
r_free	0.2740

fit	/app/data/saxs_computation/cv/1cvm/1cvm.fit
pddf	/app/data/pr_computation/cv/1cvm/1cvm.pr.out
profile	/app/data/saxs_computation/cv/1cvm/1cvm.dat

CADMIUM INHIBITED CRYSTAL STRUCTURE OF PHYTASE FROM BACILLUS AMYLOLIQUEFACIENS

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