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1e4d

Structure of OXA10 beta-lactamase at pH 8.3

Method: X-RAY DIFFRACTION D_max: 119.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e4d
deposition_date	2000-07-03
title	Structure of OXA10 beta-lactamase at pH 8.3
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	36.62 Å
rg_electron	36.03 Å
i0	189767000.00
molecular_weight	111710.0 kDa
excluded_volume	139890 Å³
envelope_volume	177410 Å³
shell_volume	41083 Å³
envelope_diameter	119.3 Å
shell_rg	42.35 Å
envelope_rg	35.45 Å
shape_rg	36.02 Å
total_rg	36.51 Å
total_atoms	7852
n_residues	975
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	119.9 Å
rg_real	36.67 Å
rg_real_error	1.33 Å
i0_real	1.8980e+08
i0_real_error	3.5660e+06
rg_reciprocal	36.64 Å
i0_reciprocal	189800000.0000
total_estimate	0.8885
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	33.5 Å
skewness	0.266
kurtosis	-0.675
angular_range	— – 0.2150 Å⁻¹
current_alpha	0.0000
highest_alpha	52290000.0000
n_real_points	44
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.912; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.901; Smooth: 0.910

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	BETA-LACTAMASE OXA-10
formula_weight	27567.3 kDa
ec_number	3.5.2.6
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	8883

SITENTSWNKEFSAEAVNGVFVLCKSSSKSCATNDLARASKEYLPASTFKIPNAIIGLETGVIKNEHQVFKWDGKPRAMKQWERDLTLRGAIQVSAVPVFQQIAREVGEVRMQKYLKKFSYGNQNISGGIDKFWLEGQLRISAVNQVEFLESLYLNKLSASKENQLIVKEALVTEAAPEYLVHSKTGFSGVGTESNPGVAWWVGWVEKETEVYFFAFNMDIDNESKLPLRKSIPTKIMESEGIIGG

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	16

Entity 3 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	6

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	943

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6. Citations (1)

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length_a	67.279 Å
length_b	82.436 Å
length_c	101.165 Å
angle_alpha	90.00 °
angle_beta	95.89 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.800 Å
resolution_low	29.540 Å
r_factor	—
r_work	0.1983
r_free	0.2427

fit	/app/data/saxs_computation/e4/1e4d/1e4d.fit
pddf	/app/data/pr_computation/e4/1e4d/1e4d.pr.out
profile	/app/data/saxs_computation/e4/1e4d/1e4d.dat

Structure of OXA10 beta-lactamase at pH 8.3

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