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1bti

CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A

Method: X-RAY DIFFRACTION D_max: 48.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bti
deposition_date	1991-07-11
title	CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A
keywords	SERINE PROTEASE INHIBITOR; SERINE PROTEASE 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	12.27 Å
rg_electron	11.16 Å
i0	1087340.00
molecular_weight	6448.0 kDa
excluded_volume	7906 Å³
envelope_volume	9060 Å³
shell_volume	7350 Å³
envelope_diameter	45.1 Å
shell_rg	16.11 Å
envelope_rg	11.74 Å
shape_rg	11.08 Å
total_rg	12.69 Å
total_atoms	448
n_residues	58
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	48.3 Å
rg_real	12.29 Å
rg_real_error	0.51 Å
i0_real	1.0870e+06
i0_real_error	1.3780e+04
rg_reciprocal	12.29 Å
i0_reciprocal	1087000.0000
total_estimate	0.7847
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	13.5 Å
skewness	0.417
kurtosis	-0.097
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	327900.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.528; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.615; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (9)

Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.

Protein Sci. (1993)

PMID: 8518731 PRIMARY

Crevice-Forming Mutants of Bovine Pancreatic Trypsin Inhibitor: Stability Changes and New Hydrophobic Surface

Protein Sci. (1993)

Crystal Structure of a Y35G Mutant of Bovine Pancreatic Trypsin Inhibitor

J.Mol.Biol. (1991)

;Structural Effects Induced by Removal of a Disulfide-Bridge. The X-Ray Structure of the C30A(Slash)C51A Mutant of Basic Pancreatic Trypsin Inhibitor at 1.6 Angstroms ;

Protein Eng. (1990)

;X-Ray Crystal Structure of the Protease Inhibitor Domain of Alzheimer'S Amyloid Beta-Protein Precursor ;

Biochemistry (1990)

Structure of Form III Crystals of Bovine Pancreatic Trypsin Inhibitor

J.Mol.Biol. (1987)

Comparison of Two Highly Refined Structures of Bovine Pancreatic Trypsin Inhibitor

J.Mol.Biol. (1987)

Structure of Bovine Pancreatic Trypsin Inhibitor. Results of Joint Neutron and X-Ray Refinement of Crystal Form II

J.Mol.Biol. (1984)

Pancreatic Trypsin Inhibitor. A New Crystal Form and its Analysis

J.Mol.Biol. (1983)

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length_a	69.120 Å
length_b	22.210 Å
length_c	28.710 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.200 Å
resolution_low	10.000 Å
r_factor	0.1720
r_work	0.1720
r_free	—

description	BOVINE PANCREATIC TRYPSIN INHIBITOR
formula_weight	6451.5 kDa
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	521

CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A

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 (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (9)

7. Files & Curves (10)

Files (7)

Curves (3)

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	48

fit	/app/data/saxs_computation/bt/1bti/1bti.fit
pddf	/app/data/pr_computation/bt/1bti/1bti.pr.out
profile	/app/data/saxs_computation/bt/1bti/1bti.dat

organism	Bos taurus
common_name	cattle
ncbi_taxonomy_id	9913