Crystal structure of the MTSP1 (matriptase)-BPTI (aprotinin) complex

entry_id	1eaw
deposition_date	2001-07-17
title	Crystal structure of the MTSP1 (matriptase)-BPTI (aprotinin) complex
keywords	;HYDROLASE/INHIBITOR, COMPLEX (SERINE PROTEASE INHIBITOR), SERINE PROTEINASE, MATRIX DEGRADATION, INHIBITOR, GLYCOPROTE HYDROLASE, HYDROLASE-INHIBITOR complex ;; HYDROLASE/INHIBITOR
method	X-RAY DIFFRACTION

rg_guinier	31.52 Å
rg_electron	31.28 Å
i0	72233300.00
molecular_weight	65655.0 kDa
excluded_volume	81381 ų
envelope_volume	100030 ų
shell_volume	28324 ų
envelope_diameter	122.7 Å
shell_rg	35.58 Å
envelope_rg	31.85 Å
shape_rg	31.22 Å
total_rg	31.81 Å
total_atoms	4618
n_residues	594
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	119.2 Å
rg_real	32.01 Å
rg_real_error	1.25 Å
i0_real	7.2230e+07
i0_real_error	1.1190e+06
rg_reciprocal	31.80 Å
i0_reciprocal	72220000.0000
total_estimate	0.7434
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	26.2 Å
skewness	0.640
kurtosis	-0.101
angular_range	— – 0.2500 Å−1
current_alpha	0.0000
highest_alpha	16160000.0000
n_real_points	51
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.447; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.430; Smooth: 0.888

Unit Cell

length_a	47.099 Å
length_b	54.233 Å
length_c	67.824 Å
angle_alpha	107.62 °
angle_beta	96.86 °
angle_gamma	103.36 °
z_pdb	2

Symmetry

space_group	P 1
int_tables_number	1
crystal_system	—

Refinement

resolution	2.930 Å
resolution_low	11.990 Å
r_factor	0.1990
r_work	0.1990
r_free	0.2790

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/ea/1eaw/pr_distribution.json
• pr_output /app/data/pr_computation/ea/1eaw/1eaw.pr.out
• pr_plot /app/data/visualization/pr_computation/ea/1eaw/1eaw_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/ea/1eaw/1eaw.dat
• saxs_fit /app/data/saxs_computation/ea/1eaw/1eaw.fit
• saxs_log /app/data/saxs_computation/ea/1eaw/1eaw.log
• saxs_plot /app/data/visualization/saxs_computation/ea/1eaw/1eaw_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/ea/1eaw/1eaw.fit
pddf	/app/data/pr_computation/ea/1eaw/1eaw.pr.out
profile	/app/data/saxs_computation/ea/1eaw/1eaw.dat