BOVINE CHYMOTRYPSIN COMPLEXED TO BPTI

entry_id	1cbw
deposition_date	1996-12-22
title	BOVINE CHYMOTRYPSIN COMPLEXED TO BPTI
keywords	;SERINE PROTEASE, INHIBITOR, PROTEASE-SUBSTRATE INTERACTIONS, COMPLEX (SERINE PROTEASE-INHIBITOR), COMPLEX (SERINE PROTEASE-INHIBITOR) complex ;; COMPLEX (SERINE PROTEASE/INHIBITOR)
method	X-RAY DIFFRACTION

rg_guinier	30.07 Å
rg_electron	30.08 Å
i0	67794700.00
molecular_weight	63358.0 kDa
excluded_volume	78685 ų
envelope_volume	96172 ų
shell_volume	28221 ų
envelope_diameter	103.3 Å
shell_rg	35.42 Å
envelope_rg	29.74 Å
shape_rg	30.08 Å
total_rg	30.57 Å
total_atoms	4430
n_residues	594
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	97.0 Å
rg_real	30.31 Å
rg_real_error	0.83 Å
i0_real	6.7790e+07
i0_real_error	1.1520e+06
rg_reciprocal	30.21 Å
i0_reciprocal	67790000.0000
total_estimate	0.8197
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.6 Å
skewness	0.460
kurtosis	-0.643
angular_range	— – 0.2650 Å−1
current_alpha	0.0000
highest_alpha	24420000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.715; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.776; Smooth: 0.731

Unit Cell

length_a	101.600 Å
length_b	101.600 Å
length_c	205.900 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

Symmetry

space_group	P 61
int_tables_number	169
crystal_system	—

Refinement

resolution	2.600 Å
resolution_low	10.000 Å
r_factor	0.1920
r_work	0.1920
r_free	0.2510

Diffraction

temperature

295.0 K

Files (7)

• pr_distribution /app/data/pr_computation/cb/1cbw/pr_distribution.json
• pr_output /app/data/pr_computation/cb/1cbw/1cbw.pr.out
• pr_plot /app/data/visualization/pr_computation/cb/1cbw/1cbw_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/cb/1cbw/1cbw.dat
• saxs_fit /app/data/saxs_computation/cb/1cbw/1cbw.fit
• saxs_log /app/data/saxs_computation/cb/1cbw/1cbw.log
• saxs_plot /app/data/visualization/saxs_computation/cb/1cbw/1cbw_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/cb/1cbw/1cbw.fit
pddf	/app/data/pr_computation/cb/1cbw/1cbw.pr.out
profile	/app/data/saxs_computation/cb/1cbw/1cbw.dat