4ISN
Crystal Structure of 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 | 2011-01-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 64.529, 64.529, 172.386 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.450 |
| R-factor | 0.2124 |
| Rwork | 0.210 |
| R-free | 0.25850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p8g |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.092 |
| 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 | 2.490 |
| High resolution limit [Å] | 2.450 | 6.650 | 2.450 |
| Rmerge | 0.046 | 0.035 | 0.157 |
| Number of reflections | 24547 | ||
| <I/σ(I)> | 20.2 | ||
| Completeness [%] | 94.9 | 99.3 | 70.6 |
| Redundancy | 6.4 | 7.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 0.1 M Tris-HCl pH 8.5, 20% (w/v) polyethylene glycol 8000, vapor diffusion, sitting drop, temperature 295K |
