Structural interaction of natural and synthetic inhibitors with the VENOM METALLOPROTEINASE, ATROLYSIN C (FORM-D)

entry_id	1atl
deposition_date	1995-05-26
title	Structural interaction of natural and synthetic inhibitors with the VENOM METALLOPROTEINASE, ATROLYSIN C (FORM-D)
keywords	METALLOENDOPEPTIDASE, HYDROLASE-HYDROLASE INHIBITOR complex; HYDROLASE/HYDROLASE INHIBITOR
method	X-RAY DIFFRACTION

rg_guinier	25.21 Å
rg_electron	24.71 Å
i0	70786200.00
molecular_weight	43398.0 kDa
excluded_volume	41591 ų
envelope_volume	68350 ų
shell_volume	24128 ų
envelope_diameter	85.0 Å
shell_rg	31.02 Å
envelope_rg	24.74 Å
shape_rg	24.71 Å
total_rg	25.24 Å
total_atoms	3260
n_residues	400
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	82.5 Å
rg_real	25.34 Å
rg_real_error	0.76 Å
i0_real	7.0790e+07
i0_real_error	1.1100e+06
rg_reciprocal	25.30 Å
i0_reciprocal	70780000.0000
total_estimate	0.8663
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.9 Å
skewness	0.495
kurtosis	-0.343
angular_range	— – 0.3150 Å−1
current_alpha	0.0000
highest_alpha	11090000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.822; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.859; Smooth: 0.936

Unit Cell

length_a	97.320 Å
length_b	97.320 Å
length_c	87.760 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

Symmetry

space_group	P 65
int_tables_number	170
crystal_system	—

Refinement

resolution	1.800 Å
resolution_low	8.000 Å
r_factor	0.1600
r_work	0.1600
r_free	—

Files (7)

• pr_distribution /app/data/pr_computation/at/1atl/pr_distribution.json
• pr_output /app/data/pr_computation/at/1atl/1atl.pr.out
• pr_plot /app/data/visualization/pr_computation/at/1atl/1atl_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/at/1atl/1atl.dat
• saxs_fit /app/data/saxs_computation/at/1atl/1atl.fit
• saxs_log /app/data/saxs_computation/at/1atl/1atl.log
• saxs_plot /app/data/visualization/saxs_computation/at/1atl/1atl_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/at/1atl/1atl.fit
pddf	/app/data/pr_computation/at/1atl/1atl.pr.out
profile	/app/data/saxs_computation/at/1atl/1atl.dat