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1f57

CARBOXYPEPTIDASE A COMPLEX WITH D-CYSTEINE AT 1.75 A

Method: X-RAY DIFFRACTION D_max: 60.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f57
deposition_date	2000-06-13
title	CARBOXYPEPTIDASE A COMPLEX WITH D-CYSTEINE AT 1.75 A
keywords	metalloprotease inhibitor, 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	19.41 Å
rg_electron	18.08 Å
i0	20168700.00
molecular_weight	34595.0 kDa
excluded_volume	43332 Å³
envelope_volume	47618 Å³
shell_volume	21244 Å³
envelope_diameter	62.2 Å
shell_rg	25.20 Å
envelope_rg	18.39 Å
shape_rg	18.05 Å
total_rg	19.13 Å
total_atoms	2445
n_residues	307
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	60.7 Å
rg_real	19.24 Å
rg_real_error	0.26 Å
i0_real	2.0170e+07
i0_real_error	2.3270e+05
rg_reciprocal	19.27 Å
i0_reciprocal	20170000.0000
total_estimate	0.8915
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.5 Å
skewness	0.070
kurtosis	-0.453
angular_range	— – 0.4100 Å⁻¹
current_alpha	0.0000
highest_alpha	7862000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.868; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.991

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CARBOXYPEPTIDASE A
formula_weight	34445.4 kDa
ec_number	3.4.17.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2744

ARSTNTFNYATYHTLDEIYDFMDLLVAEHPQLVSKLQIGRSYEGRPIYVLKFSTGGSNRPAIWIDLGIHSREWITQATGVWFAKKFTEDYGQDPSFTAILDSMDIFLEIVTNPDGFAFTHSQNRLWRKTRSVTSSSLCVGVDANRNWDAGFGKAGASSSPCSETYHGKYANSEVEVKSIVDFVKDHGNFKAFLSIHSYSQLLLYPYGYTTQSIPDKTELNQVAKSAVAALKSLYGTSYKYGSIITTIYQASGGSIDWSYNQGIKYSFTFELRDTGRYGFLLPASQIIPTAQETWLGVLTIMEHTVNN

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	D-CYSTEINE
formula_weight	121.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	261

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6. Citations (1)

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length_a	44.389 Å
length_b	57.712 Å
length_c	58.193 Å
angle_alpha	90.00 °
angle_beta	101.62 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.750 Å
resolution_low	14.780 Å
r_factor	0.1370
r_work	0.1370
r_free	0.1640

fit	/app/data/saxs_computation/f5/1f57/1f57.fit
pddf	/app/data/pr_computation/f5/1f57/1f57.pr.out
profile	/app/data/saxs_computation/f5/1f57/1f57.dat

CARBOXYPEPTIDASE A COMPLEX WITH D-CYSTEINE AT 1.75 A

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