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1bt5

CRYSTAL STRUCTURE OF THE IMIPENEM INHIBITED TEM-1 BETA-LACTAMASE FROM ESCHERICHIA COLI

Method: X-RAY DIFFRACTION D_max: 57.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bt5
deposition_date	1998-09-02
title	CRYSTAL STRUCTURE OF THE IMIPENEM INHIBITED TEM-1 BETA-LACTAMASE FROM ESCHERICHIA COLI
keywords	HYDROLASE, BETA-LACTAM DEGRADATION; 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	19.25 Å
rg_electron	17.74 Å
i0	17534100.00
molecular_weight	30012.0 kDa
excluded_volume	36901 Å³
envelope_volume	41570 Å³
shell_volume	19243 Å³
envelope_diameter	62.3 Å
shell_rg	24.45 Å
envelope_rg	18.10 Å
shape_rg	17.73 Å
total_rg	18.68 Å
total_atoms	2090
n_residues	263
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	57.8 Å
rg_real	19.19 Å
rg_real_error	0.09 Å
i0_real	1.7000e+07
i0_real_error	1.6550e+05
rg_reciprocal	19.14 Å
i0_reciprocal	17530000.0000
total_estimate	0.7080
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	24.1 Å
skewness	0.184
kurtosis	-0.375
angular_range	— – 0.4150 Å⁻¹
current_alpha	9.6950
highest_alpha	3516000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.949; Stabil: 0.922; Sysdev: 0.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.622

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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	28984.1 kDa
ec_number	3.5.2.6
mutation	V82I, A182V
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2498

HPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRIDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTMPVAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW

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	8

Entity 3 non-polymer

description	(5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
formula_weight	301.4 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	347

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6. Citations (3)

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length_a	41.420 Å
length_b	62.010 Å
length_c	89.330 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	1.800 Å
resolution_low	18.000 Å
r_factor	—
r_work	0.1730
r_free	0.2380

fit	/app/data/saxs_computation/bt/1bt5/1bt5.fit
pddf	/app/data/pr_computation/bt/1bt5/1bt5.pr.out
profile	/app/data/saxs_computation/bt/1bt5/1bt5.dat

CRYSTAL STRUCTURE OF THE IMIPENEM INHIBITED TEM-1 BETA-LACTAMASE FROM 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