FIDDLER CRAB COLLAGENASE COMPLEXED TO ECOTIN

entry_id	1azz
deposition_date	1997-11-24
title	FIDDLER CRAB COLLAGENASE COMPLEXED TO ECOTIN
keywords	;COMPLEX (SERINE PROTEASE-INHIBITOR), SERINE PROTEASE, INHIBITOR, COMPLEX, PROTEASE-SUBSTRATE INTERACTIONS, COLLAGEN, COMPLEX (SERINE PROTEASE-INHIBITOR) complex ;; COMPLEX (SERINE PROTEASE/INHIBITOR)
method	X-RAY DIFFRACTION

rg_guinier	31.93 Å
rg_electron	31.79 Å
i0	92407700.00
molecular_weight	76553.0 kDa
excluded_volume	95686 ų
envelope_volume	118710 ų
shell_volume	32863 ų
envelope_diameter	115.8 Å
shell_rg	36.82 Å
envelope_rg	31.48 Å
shape_rg	31.78 Å
total_rg	32.23 Å
total_atoms	5387
n_residues	727
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	108.7 Å
rg_real	32.23 Å
rg_real_error	1.62 Å
i0_real	9.2410e+07
i0_real_error	1.8310e+06
rg_reciprocal	32.11 Å
i0_reciprocal	92400000.0000
total_estimate	0.7769
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.3 Å
skewness	0.520
kurtosis	-0.353
angular_range	— – 0.2500 Å−1
current_alpha	0.0000
highest_alpha	35500000.0000
n_real_points	51
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.761; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.821; Smooth: 0.000

Unit Cell

length_a	89.110 Å
length_b	89.110 Å
length_c	291.550 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

Symmetry

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

Refinement

resolution	2.300 Å
resolution_low	6.000 Å
r_factor	0.1890
r_work	0.1890
r_free	0.2380

Diffraction

temperature

298.0 K

Files (7)

• pr_distribution /app/data/pr_computation/az/1azz/pr_distribution.json
• pr_output /app/data/pr_computation/az/1azz/1azz.pr.out
• pr_plot /app/data/visualization/pr_computation/az/1azz/1azz_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/az/1azz/1azz.dat
• saxs_fit /app/data/saxs_computation/az/1azz/1azz.fit
• saxs_log /app/data/saxs_computation/az/1azz/1azz.log
• saxs_plot /app/data/visualization/saxs_computation/az/1azz/1azz_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/az/1azz/1azz.fit
pddf	/app/data/pr_computation/az/1azz/1azz.pr.out
profile	/app/data/saxs_computation/az/1azz/1azz.dat