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1a16

AMINOPEPTIDASE P FROM E. COLI WITH THE INHIBITOR PRO-LEU

Method: X-RAY DIFFRACTION D_max: 88.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a16
deposition_date	1997-12-22
title	AMINOPEPTIDASE P FROM E. COLI WITH THE INHIBITOR PRO-LEU
keywords	PROLINE PEPTIDASE-DIPEPTIDE INHIBITOR COMPLEX, HYDROLASE-HYDROLASE INHIBITOR COMPLEX; HYDROLASE/HYDROLASE INHIBITOR
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	25.92 Å
rg_electron	25.17 Å
i0	43045300.00
molecular_weight	49933.0 kDa
excluded_volume	62118 Å³
envelope_volume	74863 Å³
shell_volume	25351 Å³
envelope_diameter	92.4 Å
shell_rg	31.92 Å
envelope_rg	25.46 Å
shape_rg	25.16 Å
total_rg	25.98 Å
total_atoms	3512
n_residues	439
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	88.8 Å
rg_real	26.00 Å
rg_real_error	0.75 Å
i0_real	4.3050e+07
i0_real_error	6.7110e+05
rg_reciprocal	25.98 Å
i0_reciprocal	43040000.0000
total_estimate	0.8640
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.2 Å
skewness	0.433
kurtosis	-0.344
angular_range	— – 0.3050 Å⁻¹
current_alpha	0.0000
highest_alpha	10900000.0000
n_real_points	62
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.793; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.910; Smooth: 0.939

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	AMINOPEPTIDASE P
formula_weight	49744.1 kDa
ec_number	3.4.11.9
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3858

SEISRQEFQRRRQALVEQMQPGSAALIFAAPEVTRSADSEYPYRQNSDFWYFTGFNEPEAVLVLIKSDDTHNHSVLFNRVRDLTAEIWFGRRLGQDAAPEKLGVDRALAFSEINQQLYQLLNGLDVVYHAQGEYAYADVIVNSALEKLRKGSRQNLTAPATMIDWRPVVHEMRLFKSPEEIAVLRRAGEITAMAHTRAMEKCRPGMFEYHLEGEIHHEFNRHGARYPSYNTIVGSGENGCILHYTENECEMRDGDLVLIDAGCEYKGYAGDITRTFPVNGKFTQAQREIYDIVLESLETSLRLYRPGTSILEVTGEVVRIMVSGLVKLGILKGDVDELIAQNAHRPFFMHGLSHWLGLDVHDVGVYGQDRSRILEPGMVLTVEPGLYIAPDAEVPEQYRGIGIRIEDDIVITETGNENLTASVVKKPEEIEALMVAARKQ

Entity 2 non-polymer

description	PROLINE
formula_weight	115.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	LEUCINE
formula_weight	131.2 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	346

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6. Citations (1)

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length_a	177.300 Å
length_b	177.300 Å
length_c	96.500 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 64 2 2
int_tables_number	181
crystal_system	—

resolution	2.300 Å
resolution_low	50.000 Å
r_factor	0.1840
r_work	0.1840
r_free	0.2260

fit	/app/data/saxs_computation/a1/1a16/1a16.fit
pddf	/app/data/pr_computation/a1/1a16/1a16.pr.out
profile	/app/data/saxs_computation/a1/1a16/1a16.dat

AMINOPEPTIDASE P FROM E. COLI WITH THE INHIBITOR PRO-LEU

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