ECOTIN Y69F, D70P BOUND TO D102N TRYPSIN

entry_id	1ezu
deposition_date	2000-05-11
title	ECOTIN Y69F, D70P BOUND TO D102N TRYPSIN
keywords	macromolecular complex, protease inhibitor, protein-protein interactions, HYDROLASE-INHIBITOR COMPLEX; HYDROLASE/INHIBITOR
method	X-RAY DIFFRACTION

rg_guinier	31.80 Å
rg_electron	31.32 Å
i0	99219000.00
molecular_weight	78628.0 kDa
excluded_volume	98165 ų
envelope_volume	124020 ų
shell_volume	34422 ų
envelope_diameter	113.1 Å
shell_rg	36.90 Å
envelope_rg	30.82 Å
shape_rg	31.31 Å
total_rg	31.83 Å
total_atoms	5512
n_residues	726
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	110.9 Å
rg_real	32.02 Å
rg_real_error	1.02 Å
i0_real	9.9220e+07
i0_real_error	1.5020e+06
rg_reciprocal	31.93 Å
i0_reciprocal	99210000.0000
total_estimate	0.8521
solution_quality	GOOD a GOOD solution
n_peaks	0
r_peak_primary	— Å
skewness	0.487
kurtosis	-0.314
angular_range	— – 0.2500 Å−1
current_alpha	0.0000
highest_alpha	41740000.0000
n_real_points	51
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.773; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.860; Smooth: 0.894

Unit Cell

length_a	62.920 Å
length_b	82.749 Å
length_c	81.752 Å
angle_alpha	90.00 °
angle_beta	97.24 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

Refinement

resolution	2.400 Å
resolution_low	25.000 Å
r_factor	0.2180
r_work	0.2180
r_free	0.2650

Diffraction

temperature

298.0 K

Files (7)

• pr_distribution /app/data/pr_computation/ez/1ezu/pr_distribution.json
• pr_output /app/data/pr_computation/ez/1ezu/1ezu.pr.out
• pr_plot /app/data/visualization/pr_computation/ez/1ezu/1ezu_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/ez/1ezu/1ezu.dat
• saxs_fit /app/data/saxs_computation/ez/1ezu/1ezu.fit
• saxs_log /app/data/saxs_computation/ez/1ezu/1ezu.log
• saxs_plot /app/data/visualization/saxs_computation/ez/1ezu/1ezu_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/ez/1ezu/1ezu.fit
pddf	/app/data/pr_computation/ez/1ezu/1ezu.pr.out
profile	/app/data/saxs_computation/ez/1ezu/1ezu.dat