CRYSTAL STRUCTURE OF THE MT1-MMP--TIMP-2 COMPLEX

entry_id	1bqq
deposition_date	1998-08-18
title	CRYSTAL STRUCTURE OF THE MT1-MMP--TIMP-2 COMPLEX
keywords	;MATRIX METALLOPROTEINASE, TISSUE INHIBITOR OF METALLOPROTEINASES, PROTEINASE COMPLEX, PRO-GELATINASE A ACTIVATOR, COMPLEX (METALLOPROTEINASE-RECEPTOR), HYDROLASE-HYDROLASE INHIBITOR COMPLEX ;; HYDROLASE/HYDROLASE INHIBITOR
method	X-RAY DIFFRACTION

rg_guinier	22.23 Å
rg_electron	21.29 Å
i0	29008000.00
molecular_weight	40477.0 kDa
excluded_volume	50179 ų
envelope_volume	59731 ų
shell_volume	23302 ų
envelope_diameter	78.0 Å
shell_rg	28.11 Å
envelope_rg	21.52 Å
shape_rg	21.28 Å
total_rg	22.14 Å
total_atoms	2839
n_residues	358
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	75.6 Å
rg_real	22.17 Å
rg_real_error	0.56 Å
i0_real	2.9010e+07
i0_real_error	3.8040e+05
rg_reciprocal	22.19 Å
i0_reciprocal	29010000.0000
total_estimate	0.8791
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.3 Å
skewness	0.270
kurtosis	-0.361
angular_range	— – 0.3550 Å−1
current_alpha	0.0000
highest_alpha	5525000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.813; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.987

Unit Cell

length_a	102.650 Å
length_b	40.100 Å
length_c	85.680 Å
angle_alpha	90.00 °
angle_beta	102.30 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

Refinement

resolution	2.750 Å
resolution_low	20.000 Å
r_factor	0.1890
r_work	0.1890
r_free	0.2480

Diffraction

temperature

300.0 K

Files (7)

• pr_distribution /app/data/pr_computation/bq/1bqq/pr_distribution.json
• pr_output /app/data/pr_computation/bq/1bqq/1bqq.pr.out
• pr_plot /app/data/visualization/pr_computation/bq/1bqq/1bqq_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/bq/1bqq/1bqq.dat
• saxs_fit /app/data/saxs_computation/bq/1bqq/1bqq.fit
• saxs_log /app/data/saxs_computation/bq/1bqq/1bqq.log
• saxs_plot /app/data/visualization/saxs_computation/bq/1bqq/1bqq_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/bq/1bqq/1bqq.fit
pddf	/app/data/pr_computation/bq/1bqq/1bqq.pr.out
profile	/app/data/saxs_computation/bq/1bqq/1bqq.dat