BOVINE TRYPSIN COMPLEXED TO META-CYANO-BENZYLIC INHIBITOR

entry_id	1auj
deposition_date	1997-08-28
title	BOVINE TRYPSIN COMPLEXED TO META-CYANO-BENZYLIC INHIBITOR
keywords	HYDROLASE, SERINE PROTEINASE; HYDROLASE
method	X-RAY DIFFRACTION

rg_guinier	17.14 Å
rg_electron	16.03 Å
i0	10698700.00
molecular_weight	23786.0 kDa
excluded_volume	29485 ų
envelope_volume	32108 ų
shell_volume	16528 ų
envelope_diameter	50.1 Å
shell_rg	22.33 Å
envelope_rg	16.22 Å
shape_rg	16.01 Å
total_rg	17.02 Å
total_atoms	1662
n_residues	223
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	51.8 Å
rg_real	17.02 Å
rg_real_error	0.24 Å
i0_real	1.0700e+07
i0_real_error	1.1770e+05
rg_reciprocal	17.03 Å
i0_reciprocal	10700000.0000
total_estimate	0.9052
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	22.5 Å
skewness	0.104
kurtosis	-0.477
angular_range	— – 0.4650 Å−1
current_alpha	0.0000
highest_alpha	2798000.0000
n_real_points	77
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.927; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.998

Unit Cell

length_a	55.000 Å
length_b	58.400 Å
length_c	67.600 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

Refinement

resolution	2.100 Å
resolution_low	8.000 Å
r_factor	0.1690
r_work	0.1690
r_free	—

Diffraction

temperature

273.0 K

Files (7)

• pr_distribution /app/data/pr_computation/au/1auj/pr_distribution.json
• pr_output /app/data/pr_computation/au/1auj/1auj.pr.out
• pr_plot /app/data/visualization/pr_computation/au/1auj/1auj_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/au/1auj/1auj.dat
• saxs_fit /app/data/saxs_computation/au/1auj/1auj.fit
• saxs_log /app/data/saxs_computation/au/1auj/1auj.log
• saxs_plot /app/data/visualization/saxs_computation/au/1auj/1auj_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/au/1auj/1auj.fit
pddf	/app/data/pr_computation/au/1auj/1auj.pr.out
profile	/app/data/saxs_computation/au/1auj/1auj.dat