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1e3u

MAD structure of OXA10 class D beta-lactamase

Method: X-RAY DIFFRACTION D_max: 119.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e3u
deposition_date	2000-06-23
title	MAD structure of OXA10 class D beta-lactamase
keywords	BETA-LACTAMASE, ANTIOBITIC RESISTANCE; BETA-LACTAMASE
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	36.58 Å
rg_electron	36.05 Å
i0	201848000.00
molecular_weight	112460.0 kDa
excluded_volume	139140 Å³
envelope_volume	175010 Å³
shell_volume	40572 Å³
envelope_diameter	117.7 Å
shell_rg	42.20 Å
envelope_rg	35.44 Å
shape_rg	36.03 Å
total_rg	36.52 Å
total_atoms	7806
n_residues	970
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	119.8 Å
rg_real	36.63 Å
rg_real_error	1.17 Å
i0_real	2.0180e+08
i0_real_error	3.7180e+06
rg_reciprocal	36.60 Å
i0_reciprocal	201800000.0000
total_estimate	0.8900
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	33.4 Å
skewness	0.254
kurtosis	-0.694
angular_range	— – 0.2150 Å⁻¹
current_alpha	0.0000
highest_alpha	36700000.0000
n_real_points	44
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.916; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.893; Smooth: 0.926

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	BETA-LACTAMASE OXA-10
formula_weight	27524.3 kDa
ec_number	3.5.2.6
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	8833

SITENTSWNKEFSAEAVNGVFVLCKSSSKSCATNDLARASKEYLPASTFKIPNAIIGLETGVIKNEHQVFKWDGKPRAMKQWERDLTLRGAIQVSAVPVFQQIAREVGEVRMQKYLKKFSYGNQNISGGIDKFWLEGQLRISAVNQVEFLESLYLNKLSASKENQLIVKEALVTEAAPEYLVHSKTGFSGVGTESNPGVAWWVGWVEKETEVYFFAFNMDIDNESKLPLRKSIPTKIMESEGIIGG

Source

organism	PSEUDOMONAS AERUGINOSA
ncbi_taxonomy_id	287
host_organism	ESCHERICHIA COLI

Entity 2 polymer

description	BETA-LACTAMASE OXA-10
formula_weight	27506.3 kDa
ec_number	3.5.2.6
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	D

SITENTSWNKEFSAEAVNGVFVLCKSSSKSCATNDLARASKEYLPASTFKIPNAIIGLETGVIKNEHQVFKWPGKPRAMKQWERDLTLRGAIQVSAVPVFQQIAREVGEVRMQKYLKKFSYGNQNISGGIDKFWLEGQLRISAVNQVEFLESLYLNKLSASKENQLIVKEALVTEAAPEYLVHSKTGFSGVGTESNPGVAWWVGWVEKETEVYFFAFNMDIDNESKLPLRKSIPTKIMESEGIIGG

Source

organism	PSEUDOMONAS AERUGINOSA
ncbi_taxonomy_id	287
host_organism	ESCHERICHIA COLI

Entity 3 non-polymer

description	GOLD (I) CYANIDE ION
formula_weight	249.0 kDa
src_method	syn
entity_count	8

Entity 4 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	15

Entity 5 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	12

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	949

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6. Citations (1)

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length_a	65.530 Å
length_b	82.940 Å
length_c	101.420 Å
angle_alpha	90.00 °
angle_beta	95.03 °
angle_gamma	90.00 °
z_pdb	6

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.660 Å
resolution_low	40.000 Å
r_factor	—
r_work	0.1806
r_free	0.2097

fit	/app/data/saxs_computation/e3/1e3u/1e3u.fit
pddf	/app/data/pr_computation/e3/1e3u/1e3u.pr.out
profile	/app/data/saxs_computation/e3/1e3u/1e3u.dat

MAD structure of OXA10 class D 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

5. Entities & Polymer Info (6)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)