THE CRYSTAL STRUCTURE OF ANIONIC SALMON TRYPSIN IN COMPLEX WITH BOVINE PANCREATIC TRYPSIN INHIBITOR

entry_id	1bzx
deposition_date	1998-11-05
title	THE CRYSTAL STRUCTURE OF ANIONIC SALMON TRYPSIN IN COMPLEX WITH BOVINE PANCREATIC TRYPSIN INHIBITOR
keywords	TRYPSIN, SERINE PROTEINASES, COLD ADAPTATION, INHIBITOR, SUBSTRATE SPECIFICITY, HYDROLASE-HYDROLASE INHIBITOR COMPLEX; HYDROLASE/HYDROLASE INHIBITOR
method	X-RAY DIFFRACTION

rg_guinier	19.58 Å
rg_electron	18.67 Å
i0	17664900.00
molecular_weight	30405.0 kDa
excluded_volume	37406 ų
envelope_volume	42713 ų
shell_volume	19234 ų
envelope_diameter	65.5 Å
shell_rg	24.99 Å
envelope_rg	19.12 Å
shape_rg	18.66 Å
total_rg	19.57 Å
total_atoms	2121
n_residues	280
n_harmonics	20
q_range	— – 0.5000 Å−1
n_points	101
shell_type	directional
solvent_density	0.3340 e/ų
contrast_shell	0.0300 e/ų
crysol_version	4.1.3

dmax	63.5 Å
rg_real	19.52 Å
rg_real_error	0.41 Å
i0_real	1.7660e+07
i0_real_error	2.0300e+05
rg_reciprocal	19.53 Å
i0_reciprocal	17660000.0000
total_estimate	0.8118
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	24.1 Å
skewness	0.279
kurtosis	-0.307
angular_range	— – 0.4050 Å−1
current_alpha	0.0000
highest_alpha	4461000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.851; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.000

Unit Cell

length_a	84.120 Å
length_b	84.120 Å
length_c	222.150 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

Symmetry

space_group	P 61 2 2
int_tables_number	178
crystal_system	—

Refinement

resolution	2.100 Å
resolution_low	8.000 Å
r_factor	0.2060
r_work	0.2060
r_free	0.2380

Diffraction

temperature

293.0 K

Files (7)

• pr_distribution /app/data/pr_computation/bz/1bzx/pr_distribution.json
• pr_output /app/data/pr_computation/bz/1bzx/1bzx.pr.out
• pr_plot /app/data/visualization/pr_computation/bz/1bzx/1bzx_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/bz/1bzx/1bzx.dat
• saxs_fit /app/data/saxs_computation/bz/1bzx/1bzx.fit
• saxs_log /app/data/saxs_computation/bz/1bzx/1bzx.log
• saxs_plot /app/data/visualization/saxs_computation/bz/1bzx/1bzx_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/bz/1bzx/1bzx.fit
pddf	/app/data/pr_computation/bz/1bzx/1bzx.pr.out
profile	/app/data/saxs_computation/bz/1bzx/1bzx.dat