4ISL
Crystal Structure of the inactive Matriptase in complex with its inhibitor HAI-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 61.934, 61.934, 178.997 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.290 |
R-factor | 0.1861 |
Rwork | 0.184 |
R-free | 0.23180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3p8g |
RMSD bond length | 0.007 |
RMSD bond angle | 1.080 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.330 |
High resolution limit [Å] | 2.290 | 6.210 | 2.290 |
Rmerge | 0.057 | 0.036 | 0.149 |
Number of reflections | 29858 | ||
<I/σ(I)> | 21.1 | ||
Completeness [%] | 98.3 | 98.7 | 83 |
Redundancy | 8 | 7.8 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 0.1 M Tris-HCl, 20% (w/v) polyethylene glycol 8000, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |