4ISO
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 | 2012-01-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 61.372, 61.372, 178.355 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.010 |
| R-factor | 0.1791 |
| Rwork | 0.177 |
| R-free | 0.21870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p8g |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.414 |
| 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 | 2.040 |
| High resolution limit [Å] | 2.010 | 5.450 | 2.010 |
| Rmerge | 0.079 | 0.048 | 0.283 |
| Number of reflections | 42554 | ||
| <I/σ(I)> | 17 | ||
| Completeness [%] | 97.5 | 95 | 97.3 |
| Redundancy | 4.1 | 4.2 | 3.4 |
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 |
