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1e25

The high resolution structure of PER-1 class A beta-lactamase

Method: X-RAY DIFFRACTION D_max: 65.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e25
deposition_date	2000-05-17
title	The high resolution structure of PER-1 class A beta-lactamase
keywords	HYDROLASE, ANTIBIOTIC RESISTANCE, CLASS A CEPHALOSPORINASE; 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	19.45 Å
rg_electron	18.42 Å
i0	15481200.00
molecular_weight	30520.0 kDa
excluded_volume	38626 Å³
envelope_volume	44123 Å³
shell_volume	19852 Å³
envelope_diameter	67.2 Å
shell_rg	25.03 Å
envelope_rg	18.76 Å
shape_rg	18.42 Å
total_rg	19.37 Å
total_atoms	2147
n_residues	278
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	65.2 Å
rg_real	19.37 Å
rg_real_error	0.45 Å
i0_real	1.5480e+07
i0_real_error	2.0430e+05
rg_reciprocal	19.38 Å
i0_reciprocal	15480000.0000
total_estimate	0.7872
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	24.8 Å
skewness	0.284
kurtosis	-0.201
angular_range	— – 0.4100 Å⁻¹
current_alpha	0.0000
highest_alpha	4544000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.749; Stabil: 0.995; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	EXTENDED-SPECTRUM BETA-LACTAMASE PER-1
formula_weight	30945.5 kDa
ec_number	3.5.2.6
mutation	YES
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2367

QSPLLKEQIESIVIGKKATVGVAVWGPDDLEPLLINPFEKFPMQSVFKLHLAMLVLHQVDQGKLDLNQTVIVNRAKVLQNTWAPIMKAYQGDEFSVPVQQLLQYSVSHSDNVACDLLFELVGGPAALHDYIQSMGIKETAVVANEAQMHADDQVQYQNWTSMKGAAEILKKFEQKTQLSETSQALLWKWMVETTTGPERLKGLLPAGTVVAHKTGTSQIKAGKTAATNDLGIILLPDGRPLLVAVFVKDSAESSRTNEAIIAQVAQTAYQFELKKLSALSPN

Source

organism	PSEUDOMONAS AERUGINOSA
ncbi_taxonomy_id	287
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	153

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6. Citations (1)

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length_a	84.600 Å
length_b	84.600 Å
length_c	46.890 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 43
int_tables_number	78
crystal_system	—

resolution	1.900 Å
resolution_low	19.940 Å
r_factor	0.1400
r_work	0.1400
r_free	0.1830

fit	/app/data/saxs_computation/e2/1e25/1e25.fit
pddf	/app/data/pr_computation/e2/1e25/1e25.pr.out
profile	/app/data/saxs_computation/e2/1e25/1e25.dat

The high resolution structure of PER-1 class A beta-lactamase

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