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1b12

CRYSTAL STRUCTURE OF TYPE 1 SIGNAL PEPTIDASE FROM ESCHERICHIA COLI IN COMPLEX WITH A BETA-LACTAM INHIBITOR

Method: X-RAY DIFFRACTION D_max: 124.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b12
deposition_date	1999-11-24
title	CRYSTAL STRUCTURE OF TYPE 1 SIGNAL PEPTIDASE FROM ESCHERICHIA COLI IN COMPLEX WITH A BETA-LACTAM INHIBITOR
keywords	;SERINE PROTEINASE, SERINE-DEPENDANT HYDROLASE, SIGNAL PEPTIDE PROCESSING, PROTEIN TRANSLOCATION, MEMBRANE BOUND PROTEINASE, MEMBRANE 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	39.02 Å
rg_electron	39.39 Å
i0	153895000.00
molecular_weight	102060.0 kDa
excluded_volume	128240 Å³
envelope_volume	180480 Å³
shell_volume	39677 Å³
envelope_diameter	131.1 Å
shell_rg	43.22 Å
envelope_rg	38.60 Å
shape_rg	39.41 Å
total_rg	39.57 Å
total_atoms	7198
n_residues	898
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	124.0 Å
rg_real	39.22 Å
rg_real_error	1.06 Å
i0_real	1.5390e+08
i0_real_error	2.5400e+06
rg_reciprocal	39.11 Å
i0_reciprocal	153900000.0000
total_estimate	0.8517
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	36.3 Å
skewness	0.308
kurtosis	-0.734
angular_range	— – 0.2050 Å⁻¹
current_alpha	0.0000
highest_alpha	14220000.0000
n_real_points	42
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.926; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.873; Smooth: 0.416

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	SIGNAL PEPTIDASE I
formula_weight	27835.5 kDa
ec_number	3.4.21.89
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	7646

VRSFIYEPFQIPSGSMMPTLLIGDFILVEKFAYGIKDPIYQKTLIETGHPKRGDIVVFKYPEDPKLDYIKRAVGLPGDKVTYDPVSKELTIQPGCSSGQACENALPVTYSNVEPSDFVQTFSRRNGGEATSGFFEVPKNETKENGIRLSERKETLGDVTHRILTVPIAQDQVGMYYQQPGQQLATWIVPPGQYFMMGDNRDNSADSRYWGFVPEANLVGRATAIWMSFDKQEGEWPTGLRLSRIGGIH

Source

organism	Escherichia coli
ncbi_taxonomy_id	469008
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	prop-2-en-1-yl (2S)-2-[(2S,3R)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate
formula_weight	299.3 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	448

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6. Citations (1)

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length_a	110.700 Å
length_b	113.200 Å
length_c	99.200 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	1.950 Å
resolution_low	19.500 Å
r_factor	0.2200
r_work	0.2200
r_free	0.2460

fit	/app/data/saxs_computation/b1/1b12/1b12.fit
pddf	/app/data/pr_computation/b1/1b12/1b12.pr.out
profile	/app/data/saxs_computation/b1/1b12/1b12.dat

CRYSTAL STRUCTURE OF TYPE 1 SIGNAL PEPTIDASE FROM ESCHERICHIA COLI IN COMPLEX WITH A BETA-LACTAM INHIBITOR

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