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1cp9

CRYSTAL STRUCTURE OF PENICILLIN G ACYLASE FROM THE BRO1 MUTANT STRAIN OF PROVIDENCIA RETTGERI

Method: X-RAY DIFFRACTION D_max: 88.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cp9
deposition_date	1999-06-12
title	CRYSTAL STRUCTURE OF PENICILLIN G ACYLASE FROM THE BRO1 MUTANT STRAIN OF PROVIDENCIA RETTGERI
keywords	;ANTIBIOTIC RESISTANCE, AMIDOHYDROLASE, NTN-HYDROLASE FOLD, N-TERMINAL PYROGLUTAMATE, PENICILLIN BINDING PROTEIN, CALCIUM BINDING PROTEIN, 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	27.71 Å
rg_electron	26.52 Å
i0	118571000.00
molecular_weight	85352.0 kDa
excluded_volume	106200 Å³
envelope_volume	122760 Å³
shell_volume	37196 Å³
envelope_diameter	94.7 Å
shell_rg	35.20 Å
envelope_rg	26.68 Å
shape_rg	26.47 Å
total_rg	27.46 Å
total_atoms	6038
n_residues	749
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	88.6 Å
rg_real	27.54 Å
rg_real_error	0.42 Å
i0_real	1.1860e+08
i0_real_error	1.6090e+06
rg_reciprocal	27.59 Å
i0_reciprocal	118600000.0000
total_estimate	0.8975
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	35.7 Å
skewness	0.167
kurtosis	-0.460
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0001
highest_alpha	26760000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.892; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.994

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Penicillin G amidase
formula_weight	23717.3 kDa
mutation	M140L
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	6814

QSTQIKIERDNYGVPHIYANDTYSLFYGYGYAVAQDRLFQMEMAKRSTQGTVSEVFGKDYISFDKEIRNNYWPDSIHKQINQLPSQEQDILRGYADGMNAWIKQINTKPDDLMPKQFIDYDFLPSQWTSFDVAMIMVGTLANRFSDMNSEIDNLALLTALKDKYGEQLGVEFFNQINWLNNPNAPTTISSEEFTYSDSQKTKNIS

Entity 2 polymer

description	Penicillin G amidase
formula_weight	62215.9 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

SNVWLVGKTKASGAKAILLNGPQFGWFNPAYTYGIGLHGAGFNIVGNTPFAYPAILFGHNGHVSWGSTAGFGDGVDIFAEQVSPEDPNSYLHQGQWKKMLSRQETLNVKGEQPITFEIYRTVHGNVVKRDKTTHTAYSKARAWDGKELTSLMAWVKQGQAQNWQQWLDQAQNQALTINWYYADKDGNIGYVHTGHYPDRQINHDPRLPVSGTGEWDWKGIQPFANNPKVYNPKSGYIANWNNSPAKNYPASDLFAFLWGSADRVKEIDNRIEAYDKLTADDMWAILQQTSRVDLNHRLFTPFLTQATQGLPSNDNSVKLVSMLQQWDGINQLSSDGKHYIHPGSAILDIWLKEMLKATLGQTVPAPFDKWYLASGYETTQEGPTGSLNISTGAKLLYESLLEDKSPISQSIDLFSGQPQNDVIRKTLNTTYQKMIEKYGDNPANWQTPATALTFRENNFFGIPQALPQENFHQNEYHNRGTENDLIVFTEEGVSAWDVVAPGQSGFISPQGKPSPHYQDQLSLYQQFGKKPLWLNSEDVAPYIESTETLIIER

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	776

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6. Citations (1)

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length_a	140.645 Å
length_b	140.645 Å
length_c	200.189 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 61 2 2
int_tables_number	178
crystal_system	—

resolution	2.500 Å
resolution_low	8.000 Å
r_factor	0.1540
r_work	0.1540
r_free	0.1650

fit	/app/data/saxs_computation/cp/1cp9/1cp9.fit
pddf	/app/data/pr_computation/cp/1cp9/1cp9.pr.out
profile	/app/data/saxs_computation/cp/1cp9/1cp9.dat

CRYSTAL STRUCTURE OF PENICILLIN G ACYLASE FROM THE BRO1 MUTANT STRAIN OF PROVIDENCIA RETTGERI

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 (5)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)