CRYSTAL STRUCTURE OF BOVINE CHYMOTRYPSINOGEN A (TETRAGONAL)

Method: X-RAY DIFFRACTION D_max: 54.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ex3
deposition_date	2000-04-28
title	CRYSTAL STRUCTURE OF BOVINE CHYMOTRYPSINOGEN A (TETRAGONAL)
keywords	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	17.39 Å
rg_electron	16.32 Å
i0	12167500.00
molecular_weight	25670.0 kDa
excluded_volume	31986 Å³
envelope_volume	34902 Å³
shell_volume	17434 Å³
envelope_diameter	52.4 Å
shell_rg	22.90 Å
envelope_rg	16.59 Å
shape_rg	16.30 Å
total_rg	17.40 Å
total_atoms	1799
n_residues	245
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	54.2 Å
rg_real	17.24 Å
rg_real_error	0.23 Å
i0_real	1.2170e+07
i0_real_error	1.3470e+05
rg_reciprocal	17.26 Å
i0_reciprocal	12170000.0000
total_estimate	0.8155
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.8 Å
skewness	0.063
kurtosis	-0.483
angular_range	— – 0.4600 Å⁻¹
current_alpha	0.0000
highest_alpha	3109000.0000
n_real_points	77
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.871; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.983; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	114.900 Å
length_b	114.900 Å
length_c	52.800 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	3.000 Å
resolution_low	20.000 Å
r_factor	0.2040
r_work	0.2040
r_free	—

description	CHYMOTRYPSINOGEN A
formula_weight	25686.0 kDa
ec_number	3.4.21.1
src_method	nat
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	1841

CRYSTAL STRUCTURE OF BOVINE CHYMOTRYPSINOGEN A (TETRAGONAL)

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 (2)

Entity 1 polymer

Polymer

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	42

fit	/app/data/saxs_computation/ex/1ex3/1ex3.fit
pddf	/app/data/pr_computation/ex/1ex3/1ex3.pr.out
profile	/app/data/saxs_computation/ex/1ex3/1ex3.dat