;CRYSTAL AND MOLECULAR STRUCTURES OF THE COMPLEX OF ALPHA-*CHYMOTRYPSIN WITH ITS INHIBITOR TURKEY OVOMUCOID THIRD DOMAIN AT 1.8 ANGSTROMS RESOLUTION ;

entry_id	1cho
deposition_date	1988-03-04
title	;CRYSTAL AND MOLECULAR STRUCTURES OF THE COMPLEX OF ALPHA-*CHYMOTRYPSIN WITH ITS INHIBITOR TURKEY OVOMUCOID THIRD DOMAIN AT 1.8 ANGSTROMS RESOLUTION ;
keywords	SERINE PROTEINASE-INHIBITOR COMPLEX, HYDROLASE-HYDROLASE INHIBITOR COMPLEX; HYDROLASE/HYDROLASE INHIBITOR
method	X-RAY DIFFRACTION

rg_guinier	19.02 Å
rg_electron	17.94 Å
i0	17227000.00
molecular_weight	30738.0 kDa
excluded_volume	38199 ų
envelope_volume	43521 ų
shell_volume	19872 ų
envelope_diameter	61.8 Å
shell_rg	24.66 Å
envelope_rg	18.24 Å
shape_rg	17.92 Å
total_rg	18.92 Å
total_atoms	2150
n_residues	291
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	60.5 Å
rg_real	18.91 Å
rg_real_error	0.41 Å
i0_real	1.7230e+07
i0_real_error	2.2350e+05
rg_reciprocal	18.93 Å
i0_reciprocal	17230000.0000
total_estimate	0.8133
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	24.4 Å
skewness	0.194
kurtosis	-0.345
angular_range	— – 0.4200 Å−1
current_alpha	0.0000
highest_alpha	4484000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.859; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.000

Unit Cell

length_a	44.920 Å
length_b	54.520 Å
length_c	57.180 Å
angle_alpha	90.00 °
angle_beta	103.90 °
angle_gamma	90.00 °
z_pdb	2

Symmetry

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

Refinement

resolution	1.800 Å
resolution_low	8.000 Å
r_factor	0.1680
r_work	—
r_free	—

Files (7)

• pr_distribution /app/data/pr_computation/ch/1cho/pr_distribution.json
• pr_output /app/data/pr_computation/ch/1cho/1cho.pr.out
• pr_plot /app/data/visualization/pr_computation/ch/1cho/1cho_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/ch/1cho/1cho.dat
• saxs_fit /app/data/saxs_computation/ch/1cho/1cho.fit
• saxs_log /app/data/saxs_computation/ch/1cho/1cho.log
• saxs_plot /app/data/visualization/saxs_computation/ch/1cho/1cho_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/ch/1cho/1cho.fit
pddf	/app/data/pr_computation/ch/1cho/1cho.pr.out
profile	/app/data/saxs_computation/ch/1cho/1cho.dat