THE SERINE PROTEASE DOMAIN OF ENTEROPEPTIDASE BOUND TO INHIBITOR VAL-ASP-ASP-ASP-ASP-LYS-CHLOROMETHANE

entry_id	1ekb
deposition_date	1999-05-02
title	THE SERINE PROTEASE DOMAIN OF ENTEROPEPTIDASE BOUND TO INHIBITOR VAL-ASP-ASP-ASP-ASP-LYS-CHLOROMETHANE
keywords	ENTEROPEPTIDASE, TRYPSINOGEN ACTIVATION, HYDROLASE-HYDROLASE INHIBITOR COMPLEX; HYDROLASE/HYDROLASE INHIBITOR
method	X-RAY DIFFRACTION

rg_guinier	17.57 Å
rg_electron	16.60 Å
i0	25606800.00
molecular_weight	25541.0 kDa
excluded_volume	24440 ų
envelope_volume	37296 ų
shell_volume	18243 ų
envelope_diameter	53.7 Å
shell_rg	23.34 Å
envelope_rg	16.87 Å
shape_rg	16.57 Å
total_rg	17.40 Å
total_atoms	1913
n_residues	245
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	55.9 Å
rg_real	17.43 Å
rg_real_error	0.31 Å
i0_real	2.5610e+07
i0_real_error	3.0500e+05
rg_reciprocal	17.44 Å
i0_reciprocal	25610000.0000
total_estimate	0.8113
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.4 Å
skewness	0.106
kurtosis	-0.466
angular_range	— – 0.4550 Å−1
current_alpha	0.0000
highest_alpha	9088000.0000
n_real_points	76
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.850; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.000

Unit Cell

length_a	39.990 Å
length_b	70.650 Å
length_c	85.220 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	2.300 Å
resolution_low	30.000 Å
r_factor	—
r_work	0.2340
r_free	0.2690

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/ek/1ekb/pr_distribution.json
• pr_output /app/data/pr_computation/ek/1ekb/1ekb.pr.out
• pr_plot /app/data/visualization/pr_computation/ek/1ekb/1ekb_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/ek/1ekb/1ekb.dat
• saxs_fit /app/data/saxs_computation/ek/1ekb/1ekb.fit
• saxs_log /app/data/saxs_computation/ek/1ekb/1ekb.log
• saxs_plot /app/data/visualization/saxs_computation/ek/1ekb/1ekb_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/ek/1ekb/1ekb.fit
pddf	/app/data/pr_computation/ek/1ekb/1ekb.pr.out
profile	/app/data/saxs_computation/ek/1ekb/1ekb.dat