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1co7

R117H mutant rat anionic trypsin complexed with bovine pancreatic trypsin inhibitor (BPTI)

Method: X-RAY DIFFRACTION D_max: 58.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1co7
deposition_date	1999-06-07
title	R117H mutant rat anionic trypsin complexed with bovine pancreatic trypsin inhibitor (BPTI)
keywords	COMPLEX (SERINE PROTEASE-INHIBITOR), 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	18.54 Å
rg_electron	17.54 Å
i0	15237000.00
molecular_weight	28541.0 kDa
excluded_volume	35305 Å³
envelope_volume	39697 Å³
shell_volume	18736 Å³
envelope_diameter	58.5 Å
shell_rg	24.06 Å
envelope_rg	17.90 Å
shape_rg	17.54 Å
total_rg	18.47 Å
total_atoms	1996
n_residues	264
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	58.9 Å
rg_real	18.43 Å
rg_real_error	0.24 Å
i0_real	1.5240e+07
i0_real_error	1.6760e+05
rg_reciprocal	18.45 Å
i0_reciprocal	15240000.0000
total_estimate	0.8946
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.4 Å
skewness	0.180
kurtosis	-0.378
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0000
highest_alpha	3840000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.879; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.996

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	TRYPSIN II
formula_weight	26096.4 kDa
ec_number	3.4.21.4
mutation	R117H
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	E
atom_count	2099

RALLFLALVGAAVAFPVDDDDKIVGGYTCQENSVPYQVSLNSGYHFCGGSLINDQWVVSAAHCYKSRIQVRLGEHNINVLEGNEQFVNAAKIIKHPNFDRKTLNNDIMLIKLSSPVKLNAHVATVALPSSCAPAGTQCLISGWGNTLSSGVNEPDLLQCLDAPLLPQADCEASYPGKITDNMVCVGFLEGGKDSCQGDSGGPVVCNGELQGIVSWGYGCALPDNPGVYTKVCNYVDWIQDTIAAN

Entity 2 polymer

description	BOVINE PANCREATIC TRYPSIN INHIBITOR
formula_weight	10784.6 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	I

KMSRLCLSVALLVLLGTLAASTPGCDTSNQAKAQRPDFCLEPPYTGPCKARIIRYFYNAKAGLCQTFVYGGCRAKRNNFKSAEDCMRTCGGAIGPWENL

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	103

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6. Citations (0)

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length_a	92.696 Å
length_b	92.696 Å
length_c	62.406 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	1.900 Å
resolution_low	8.000 Å
r_factor	0.2080
r_work	0.2080
r_free	0.2100

fit	/app/data/saxs_computation/co/1co7/1co7.fit
pddf	/app/data/pr_computation/co/1co7/1co7.pr.out
profile	/app/data/saxs_computation/co/1co7/1co7.dat

R117H mutant rat anionic trypsin complexed with bovine pancreatic trypsin inhibitor (BPTI)

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 (4)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 water

6. Citations (0)

7. Files & Curves (10)

Files (7)

Curves (3)