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1arm

CARBOXYPEPTIDASE A WITH ZN REPLACED BY HG

Method: X-RAY DIFFRACTION D_max: 61.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1arm
deposition_date	1994-11-22
title	CARBOXYPEPTIDASE A WITH ZN REPLACED BY HG
keywords	METALLOPROTEASE, HYDROLASE, CARBOXYPEPTIDASE; 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	22379900.00
molecular_weight	35380.0 kDa
excluded_volume	43532 Å³
envelope_volume	47213 Å³
shell_volume	21134 Å³
envelope_diameter	61.9 Å
shell_rg	25.18 Å
envelope_rg	18.36 Å
shape_rg	18.02 Å
total_rg	19.14 Å
total_atoms	2449
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	61.7 Å
rg_real	19.24 Å
rg_real_error	0.24 Å
i0_real	2.2380e+07
i0_real_error	2.5270e+05
rg_reciprocal	19.27 Å
i0_reciprocal	22380000.0000
total_estimate	0.8880
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.9 Å
skewness	0.065
kurtosis	-0.456
angular_range	— – 0.4100 Å⁻¹
current_alpha	0.0000
highest_alpha	4807000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.849; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 1.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	HG-CARBOXYPEPTIDASE A=ALPHA= (COX)
formula_weight	34721.8 kDa
ec_number	3.4.17.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2666

ARSTNTFNYATYHTLDEIYDFMDLLVAEHPQLVSKLQIGRSYEGRPIYVLKFSTGGSNRPAIWIDLGIHSREWITQATGVWFAKKFTEDYGQDPSFTAILDSMDIFLEIVTNPDGFAFTHSQNRLWRKTRSVTSSSLCVGVDANRNWDAGFGKAGASSSPCSETYHGKYANSEVEVKSIVDFVKDHGNFKAFLSIHSYSQLLLYPYGYTTQSIPDKTELNQVAKSAVAALKSLYGTSYKYGSIITTIYQASGGSIDWSYNQGIKYSFTFELRDTGRYGFLLPASQIIPTAQETWLGVLTIMEHTVNNLY

Entity 2 non-polymer

description	MERCURY (II) ION
formula_weight	200.6 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	COPPER (II) ION
formula_weight	63.5 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
formula_weight	122.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	217

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6. Citations (1)

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length_a	51.700 Å
length_b	60.320 Å
length_c	47.200 Å
angle_alpha	90.00 °
angle_beta	97.39 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.760 Å
resolution_low	12.100 Å
r_factor	—
r_work	—
r_free	—

fit	/app/data/saxs_computation/ar/1arm/1arm.fit
pddf	/app/data/pr_computation/ar/1arm/1arm.pr.out
profile	/app/data/saxs_computation/ar/1arm/1arm.dat