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1bit

THE CRYSTAL STRUCTURE OF ANIONIC SALMON TRYPSIN IN A SECOND CRYSTAL FORM

Method: X-RAY DIFFRACTION D_max: 62.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bit
deposition_date	1994-08-26
title	THE CRYSTAL STRUCTURE OF ANIONIC SALMON TRYPSIN IN A SECOND CRYSTAL FORM
keywords	SERINE PROTEINASE; SERINE PROTEINASE
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	17.17 Å
rg_electron	16.18 Å
i0	11483600.00
molecular_weight	24165.0 kDa
excluded_volume	29675 Å³
envelope_volume	32581 Å³
shell_volume	16620 Å³
envelope_diameter	51.4 Å
shell_rg	22.48 Å
envelope_rg	16.41 Å
shape_rg	16.19 Å
total_rg	17.10 Å
total_atoms	1686
n_residues	222
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	62.0 Å
rg_real	17.04 Å
rg_real_error	0.39 Å
i0_real	1.1480e+07
i0_real_error	1.3800e+05
rg_reciprocal	17.06 Å
i0_reciprocal	11480000.0000
total_estimate	0.7596
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	22.0 Å
skewness	0.122
kurtosis	-0.459
angular_range	— – 0.4650 Å⁻¹
current_alpha	0.0000
highest_alpha	3490000.0000
n_real_points	77
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.629; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	TRYPSIN
formula_weight	25402.5 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1811

FVLLIGAAFATEDDKIVGGYECKAYSQAHQVSLNSGYHFCGGSLVNENWVVSAAHCYKSRVEVRLGEHNIKVTEGSEQFISSSRVIRHPNYSSYNIDNDIMLIKLSKPATLNTYVQPVALPTSCAPAGTMCTVSGWGNTMSSTADSNKLQCLNIPILSYSDCNNSYPGMITNAMFCAGYLEGGKDSCQGDSGGPVVCNGELQGVVSWGYGCAEPGNPGVYAKVCIFNDWLTSTMASY

Source

organism	Salmo salar
common_name	Atlantic salmon
ncbi_taxonomy_id	8030

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	BENZAMIDINE
formula_weight	120.2 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	125

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6. Citations (7)

Structure of anionic salmon trypsin in a second crystal form.

Acta Crystallogr.,Sect.D (1995)

PMID: 15299802 · DOI: 10.1107/S0907444995000333 PRIMARY

Crystal Structure Determination and Refinement of Benzamidine-Inhibited Trypsin from the North Atlantic Salmon (Salmo Salar)

Acta Crystallogr.,Sect.D (1993)

;Crystallization and Preliminary X-Ray Crystallographic Studies of Benzamidine-Inhibited Trypsin from the North Atlantic Salmon (Salmo Salar) ;

J.Mol.Biol. (1990)

Crystal Structure of Bovine B-Trypsin at 1.5 Angstroms Resolution in a Crystal Form with Low Molecular Packing Density

J.Mol.Biol. (1989)

The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors

Acta Crystallogr.,Sect.B (1983)

The Accuracy of Refined Protein Structures: Comparison of Two Independently Refined Models of Bovine Trypsin

Acta Crystallogr.,Sect.B (1979)

Cold-Adaption of Enzymes: Structural Comparison between Salmon and Bovine Trypsins

To be Published

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length_a	77.090 Å
length_b	82.330 Å
length_c	31.160 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	1.830 Å
resolution_low	8.000 Å
r_factor	0.1990
r_work	0.1990
r_free	—

fit	/app/data/saxs_computation/bi/1bit/1bit.fit
pddf	/app/data/pr_computation/bi/1bit/1bit.pr.out
profile	/app/data/saxs_computation/bi/1bit/1bit.dat