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1brb

CRYSTAL STRUCTURES OF RAT ANIONIC TRYPSIN COMPLEXED WITH THE PROTEIN INHIBITORS APPI AND BPTI

Method: X-RAY DIFFRACTION D_max: 59.2 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1brb
deposition_date	1992-12-17
title	CRYSTAL STRUCTURES OF RAT ANIONIC TRYPSIN COMPLEXED WITH THE PROTEIN INHIBITORS APPI AND BPTI
keywords	COMPLEX(PROTEINASE-INHIBITOR), COMPLEX(PROTEINASE-INHIBITOR) complex; COMPLEX(PROTEINASE/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	18.93 Å
rg_electron	18.00 Å
i0	15808300.00
molecular_weight	29167.0 kDa
excluded_volume	36105 Å³
envelope_volume	40954 Å³
shell_volume	18985 Å³
envelope_diameter	58.7 Å
shell_rg	24.28 Å
envelope_rg	18.32 Å
shape_rg	18.00 Å
total_rg	18.87 Å
total_atoms	2042
n_residues	274
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	59.2 Å
rg_real	18.83 Å
rg_real_error	0.24 Å
i0_real	1.5810e+07
i0_real_error	1.6510e+05
rg_reciprocal	18.85 Å
i0_reciprocal	15810000.0000
total_estimate	0.9019
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	23.8 Å
skewness	0.207
kurtosis	-0.382
angular_range	— – 0.4200 Å⁻¹
current_alpha	0.0000
highest_alpha	4091000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.910; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.992

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	TRYPSIN
formula_weight	23814.8 kDa
ec_number	3.4.21.4
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	E
atom_count	2184

IVGGYTCQENSVPYQVSLNSGYHFCGGSLINDQWVVSAAHCYKSRIQVRLGEHNINVLEGNEQFVNAAKIIKHPNFDRKTLNNDIMLIKLSSPVKLNARVATVALPSSCAPAGTQCLISGWGNTLSSGVNEPDLLQCLDAPLLPQADCEASYPGKITDNMVCVGFLEGGKGSCQGDSGGPVVCNGELQGIVSWGYGCALPDNPDVYTKVCNYVDWIQDTIAAN

Source

organism	Rattus norvegicus
common_name	Norway rat
ncbi_taxonomy_id	10116

Entity 2 polymer

description	PANCREATIC TRYPSIN INHIBITOR
formula_weight	6407.3 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	I

RPDFAGEPPYTGPCKARIIRYFYNAKAGLCQTFVYGGCRAKRNNFKSAEDCMRTAGGA

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	142

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6. Citations (2)

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length_a	92.650 Å
length_b	92.650 Å
length_c	62.320 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	2.100 Å
resolution_low	— Å
r_factor	0.1980
r_work	0.1980
r_free	—

fit	/app/data/saxs_computation/br/1brb/1brb.fit
pddf	/app/data/pr_computation/br/1brb/1brb.pr.out
profile	/app/data/saxs_computation/br/1brb/1brb.dat

CRYSTAL STRUCTURES OF RAT ANIONIC TRYPSIN COMPLEXED WITH THE PROTEIN INHIBITORS APPI AND 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

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)