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1czi

CHYMOSIN COMPLEX WITH THE INHIBITOR CP-113972

Method: X-RAY DIFFRACTION D_max: 67.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1czi
deposition_date	1997-01-15
title	CHYMOSIN COMPLEX WITH THE INHIBITOR CP-113972
keywords	ACID PROTEINASE, ASPARTYL PROTEASE, 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	20.65 Å
rg_electron	19.56 Å
i0	22656100.00
molecular_weight	36370.0 kDa
excluded_volume	45332 Å³
envelope_volume	50393 Å³
shell_volume	21362 Å³
envelope_diameter	68.5 Å
shell_rg	26.24 Å
envelope_rg	19.86 Å
shape_rg	19.55 Å
total_rg	20.44 Å
total_atoms	2554
n_residues	324
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	67.6 Å
rg_real	20.57 Å
rg_real_error	0.34 Å
i0_real	2.2660e+07
i0_real_error	2.5850e+05
rg_reciprocal	20.58 Å
i0_reciprocal	22660000.0000
total_estimate	0.8864
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.5 Å
skewness	0.259
kurtosis	-0.338
angular_range	— – 0.3850 Å⁻¹
current_alpha	0.0000
highest_alpha	4250000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.844; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.988

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	CHYMOSIN
formula_weight	35672.7 kDa
ec_number	3.4.23.4
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	E
atom_count	2745

GEVASVPLTNYLDSQYFGKIYLGTPPQEFTVLFDTGSSDFWVPSIYCKSNACKNHQRFDPRKSSTFQNLGKPLSIHYGTGSMQGILGYDTVTVSNIVDIQQTVGLSTQEPGDVFTYAEFDGILGMAYPSLASEYSIPVFDNMMNRHLVAQDLFSVYMDRNGQESMLTLGAIDPSYYTGSLHWVPVTVQQYWQFTVDSVTISGVVVACEGGCQAILDTGTSKLVGPSSDILNIQQAIGATQNQYGEFDIDCDNLSYMPTVVFEINGKMYPLTPSAYTSQDQGFCTSGFQSENHSQKWILGDVFIREYYSVFDRANNLVGLAKAI

Source

organism	Bos taurus
common_name	cattle
ncbi_taxonomy_id	9913
host_organism	Escherichia coli

Entity 2 polymer

description	CP-113972 (NORSTATINE-S-METHYL CYSTEINE-IODO-PHENYLALANINE-PROLINE)
formula_weight	730.7 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	P

PFCX

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	191

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6. Citations (2)

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length_a	132.780 Å
length_b	132.780 Å
length_c	81.950 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	18

space_group	H 3 2
int_tables_number	155
crystal_system	—

resolution	2.300 Å
resolution_low	9.970 Å
r_factor	—
r_work	0.1954
r_free	—

fit	/app/data/saxs_computation/cz/1czi/1czi.fit
pddf	/app/data/pr_computation/cz/1czi/1czi.pr.out
profile	/app/data/saxs_computation/cz/1czi/1czi.dat

CHYMOSIN COMPLEX WITH THE INHIBITOR CP-113972

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

Source

Entity 2 polymer

Polymer

Entity 3 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)