4O9V
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) | 1.5418 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 66.645, 140.683, 51.859 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.030 - 1.900 |
| R-factor | 0.17383 |
| Rwork | 0.170 |
| R-free | 0.23946 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eax |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.011 |
| 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 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.039 | 0.126 |
| Number of reflections | 18653 | |
| <I/σ(I)> | 16.2 | 2.9 |
| Completeness [%] | 94.8 | 87.2 |
| Redundancy | 2.7 | 2.5 |
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 |
