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1bvt

METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS 569/H/9

Method: X-RAY DIFFRACTION D_max: 50.2 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bvt
deposition_date	1998-09-18
title	METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS 569/H/9
keywords	HYDROLASE (BETA-LACTAMASE), METALLO BETA-LACTAMASE, ZINC, 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	17.31 Å
rg_electron	16.17 Å
i0	10697800.00
molecular_weight	24453.0 kDa
excluded_volume	30742 Å³
envelope_volume	34133 Å³
shell_volume	17210 Å³
envelope_diameter	53.9 Å
shell_rg	22.75 Å
envelope_rg	16.51 Å
shape_rg	16.15 Å
total_rg	17.29 Å
total_atoms	1716
n_residues	221
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	50.2 Å
rg_real	17.12 Å
rg_real_error	0.06 Å
i0_real	1.0300e+07
i0_real_error	8.7250e+04
rg_reciprocal	17.19 Å
i0_reciprocal	10700000.0000
total_estimate	0.7211
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	21.8 Å
skewness	0.090
kurtosis	-0.453
angular_range	— – 0.4600 Å⁻¹
current_alpha	11.8100
highest_alpha	2547000.0000
n_real_points	77
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.958; Stabil: 0.914; Sysdev: 0.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.800

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (BETA-LACTAMASE)
formula_weight	24995.5 kDa
ec_number	3.5.2.6
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1921

SQKVEKTVIKNETGTISISQLNKNVWVHTELGSFNGEAVPSNGLVLNTSKGLVLVDSSWDDKLTKELIEMVEKKFQKRVTDVIITHAHADRIGGIKTLKERGIKAHSTALTAELAKKNGYEEPLGDLQTVTNLKFGNMKVETFYPGKGHTEDNIVVWLPQYNILVGGCLVKSTSAKDLGNVADAYVNEWSTSIENVLKRYRNINAVVPGHGEVGDKGLLLHTLDLLK

Source

organism	Bacillus cereus
ncbi_taxonomy_id	1396
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	BICARBONATE ION
formula_weight	61.0 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	205

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6. Citations (2)

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length_a	53.000 Å
length_b	61.350 Å
length_c	69.450 Å
angle_alpha	90.00 °
angle_beta	92.93 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.850 Å
resolution_low	8.000 Å
r_factor	0.2220
r_work	0.2220
r_free	0.2690

fit	/app/data/saxs_computation/bv/1bvt/1bvt.fit
pddf	/app/data/pr_computation/bv/1bvt/1bvt.pr.out
profile	/app/data/saxs_computation/bv/1bvt/1bvt.dat

METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS 569/H/9

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