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1cgi

;THREE-DIMENSIONAL STRUCTURE OF THE COMPLEXES BETWEEN BOVINE CHYMOTRYPSINOGEN*A AND TWO RECOMBINANT VARIANTS OF HUMAN PANCREATIC SECRETORY TRYPSIN INHIBITOR (KAZAL-TYPE) ;

Method: X-RAY DIFFRACTION D_max: 67.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cgi
deposition_date	1991-10-08
title	;THREE-DIMENSIONAL STRUCTURE OF THE COMPLEXES BETWEEN BOVINE CHYMOTRYPSINOGEN*A AND TWO RECOMBINANT VARIANTS OF HUMAN PANCREATIC SECRETORY TRYPSIN INHIBITOR (KAZAL-TYPE) ;
keywords	SERINE PROTEASE-INHIBITOR COMPLEX, SERINE PROTEASE-INHIBITOR COMPLEX complex; SERINE PROTEASE/INHIBITOR COMPLEX
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	19.20 Å
rg_electron	18.14 Å
i0	18905800.00
molecular_weight	32009.0 kDa
excluded_volume	39661 Å³
envelope_volume	45183 Å³
shell_volume	20331 Å³
envelope_diameter	69.2 Å
shell_rg	25.06 Å
envelope_rg	18.61 Å
shape_rg	18.12 Å
total_rg	19.15 Å
total_atoms	2239
n_residues	301
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	67.5 Å
rg_real	19.09 Å
rg_real_error	0.45 Å
i0_real	1.8910e+07
i0_real_error	2.3860e+05
rg_reciprocal	19.11 Å
i0_reciprocal	18910000.0000
total_estimate	0.7726
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.4 Å
skewness	0.235
kurtosis	-0.228
angular_range	— – 0.4150 Å⁻¹
current_alpha	0.0000
highest_alpha	6220000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.682; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	ALPHA-CHYMOTRYPSINOGEN
formula_weight	25686.0 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	E
atom_count	2291

CGVPAIQPVLSGLSRIVNGEEAVPGSWPWQVSLQDKTGFHFCGGSLINENWVVTAAHCGVTTSDVVVAGEFDQGSSSEKIQKLKIAKVFKNSKYNSLTINNDITLLKLSTAASFSQTVSAVCLPSASDDFAAGTTCVTTGWGLTRYTNANTPDRLQQASLPLLSNTNCKKYWGTKIKDAMICAGASGVSSCMGDSGGPLVCKKNGAWTLVGIVSWGSSTCSTSTPGVYARVTALVNWVQQTLAAN

Source

organism	Bos taurus
common_name	cattle
ncbi_taxonomy_id	9913

Entity 2 polymer

description	PANCREATIC SECRETORY TRYPSIN INHIBITOR (KAZAL TYPE) VARIANT 3
formula_weight	6347.1 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	I

DSLGREAKCYNELNGCTYEYRPVCGTDGDTYPNECVLCFENRKRQTSILIQKSGPC

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	52

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6. Citations (1)

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length_a	84.400 Å
length_b	84.400 Å
length_c	86.700 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	2.300 Å
resolution_low	8.000 Å
r_factor	0.1950
r_work	—
r_free	—

fit	/app/data/saxs_computation/cg/1cgi/1cgi.fit
pddf	/app/data/pr_computation/cg/1cgi/1cgi.pr.out
profile	/app/data/saxs_computation/cg/1cgi/1cgi.dat

;THREE-DIMENSIONAL STRUCTURE OF THE COMPLEXES BETWEEN BOVINE CHYMOTRYPSINOGEN*A AND TWO RECOMBINANT VARIANTS OF HUMAN PANCREATIC SECRETORY TRYPSIN INHIBITOR (KAZAL-TYPE) ;

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)