4O97
Crystal structure of matriptase in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5416 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 66.980, 140.503, 51.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.910 - 2.200 |
| R-factor | 0.19081 |
| Rwork | 0.186 |
| R-free | 0.27660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eax |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.874 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.980 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.052 | 0.249 |
| Number of reflections | 18653 | |
| <I/σ(I)> | 13.1 | 2.6 |
| Completeness [%] | 95.2 | 89.7 |
| Redundancy | 2.8 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 293 | 0.1M Tris pH 8.3, 0.2M MgCl2, 20% PEG 8000 , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
