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1ddk

CRYSTAL STRUCTURE OF IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA

Method: X-RAY DIFFRACTION D_max: 57.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ddk
deposition_date	1999-11-10
title	CRYSTAL STRUCTURE OF IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA
keywords	IMP-1 METALLO BETA-LACTAMASE, BINUCLEAR METAL CENTER, ZN BETA-LACTAMASE, 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	17.67 Å
rg_electron	16.53 Å
i0	10053200.00
molecular_weight	24494.0 kDa
excluded_volume	31090 Å³
envelope_volume	34811 Å³
shell_volume	17335 Å³
envelope_diameter	59.0 Å
shell_rg	23.08 Å
envelope_rg	16.91 Å
shape_rg	16.51 Å
total_rg	17.69 Å
total_atoms	1728
n_residues	220
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	57.9 Å
rg_real	17.56 Å
rg_real_error	0.39 Å
i0_real	1.0050e+07
i0_real_error	1.2840e+05
rg_reciprocal	17.57 Å
i0_reciprocal	10050000.0000
total_estimate	0.7938
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	23.1 Å
skewness	0.193
kurtosis	-0.269
angular_range	— – 0.4500 Å⁻¹
current_alpha	0.0000
highest_alpha	2894000.0000
n_real_points	76
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.775; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	IMP-1 METALLO BETA-LACTAMASE
formula_weight	24334.8 kDa
ec_number	3.5.2.6
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1729

ESLPDLKIEKLDEGVYVHTSFEEVNGWGVVPKHGLVVLVNAEAYLIDTPFTAKDTEKLVTWFVERGYKIKGSISSHFHSDSTGGIEWLNSRSIPTYASELTNELLKKDGKVQATNSFSGVNYWLVKNKIEVFYPGPGHTPDNVVVWLPERKILFGGCFIKPYGLGNLGDANIEAWPKSAKLLKSKYGKAKLVVPSHSEVGDASLLKLTLEQAVKGLNESK

Source

organism	Pseudomonas aeruginosa
ncbi_taxonomy_id	287
host_organism	Escherichia coli BL21

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	ACETIC ACID
formula_weight	60.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1

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6. Citations (1)

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length_a	50.300 Å
length_b	105.800 Å
length_c	112.300 Å
angle_alpha	90.00 °
angle_beta	93.90 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	3.100 Å
resolution_low	20.000 Å
r_factor	0.2550
r_work	0.2550
r_free	0.2880

fit	/app/data/saxs_computation/dd/1ddk/1ddk.fit
pddf	/app/data/pr_computation/dd/1ddk/1ddk.pr.out
profile	/app/data/saxs_computation/dd/1ddk/1ddk.dat

CRYSTAL STRUCTURE OF IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA

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