CADMIUM-SUBSTITUTED BOVINE PACREATIC CARBOXYPEPTIDASE A (ALFA-FORM) AT PH 5.5 AND 2 MM CHLORIDE IN MONOCLINIC CRYSTAL FORM.

Method: X-RAY DIFFRACTION D_max: 60.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1elm
deposition_date	2000-03-14
title	CADMIUM-SUBSTITUTED BOVINE PACREATIC CARBOXYPEPTIDASE A (ALFA-FORM) AT PH 5.5 AND 2 MM CHLORIDE IN MONOCLINIC CRYSTAL FORM.
keywords	ALFA/BETA FOLD, 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	19.40 Å
rg_electron	18.08 Å
i0	20010100.00
molecular_weight	34388.0 kDa
excluded_volume	43005 Å³
envelope_volume	46986 Å³
shell_volume	21058 Å³
envelope_diameter	60.8 Å
shell_rg	25.14 Å
envelope_rg	18.31 Å
shape_rg	18.04 Å
total_rg	19.14 Å
total_atoms	2422
n_residues	305
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	60.5 Å
rg_real	19.24 Å
rg_real_error	0.25 Å
i0_real	2.0010e+07
i0_real_error	2.4550e+05
rg_reciprocal	19.26 Å
i0_reciprocal	20010000.0000
total_estimate	0.8931
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.4 Å
skewness	0.062
kurtosis	-0.461
angular_range	— – 0.4100 Å⁻¹
current_alpha	0.0000
highest_alpha	6131000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.873; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.999

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (4)

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length_a	47.163 Å
length_b	60.244 Å
length_c	51.746 Å
angle_alpha	90.00 °
angle_beta	97.41 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.000 Å
resolution_low	40.000 Å
r_factor	0.1610
r_work	0.1610
r_free	0.1860

description	CARBOXYPEPTIDASE A
formula_weight	34721.8 kDa
ec_number	3.4.17.1
src_method	nat
entity_count	1

type	polypeptide(L)
strand_id	P
atom_count	2611

CADMIUM-SUBSTITUTED BOVINE PACREATIC CARBOXYPEPTIDASE A (ALFA-FORM) AT PH 5.5 AND 2 MM CHLORIDE IN MONOCLINIC CRYSTAL FORM.

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 (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (4)

7. Files & Curves (10)

Files (7)

Curves (3)

description	CADMIUM ION
formula_weight	112.4 kDa
src_method	syn
entity_count	2

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	189

fit	/app/data/saxs_computation/el/1elm/1elm.fit
pddf	/app/data/pr_computation/el/1elm/1elm.pr.out
profile	/app/data/saxs_computation/el/1elm/1elm.dat