4R0I
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 | 66.842, 140.448, 51.899 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.100 - 1.900 |
| R-factor | 0.22325 |
| Rwork | 0.220 |
| R-free | 0.28857 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eax |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.864 |
| 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 | 0.057 | 0.239 |
| Number of reflections | 18801 | |
| <I/σ(I)> | 10.2 | 2.8 |
| Completeness [%] | 95.5 | 98.4 |
| Redundancy | 2.5 | 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% PEG8000 , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
