4BOH
Madanins (MEROPS I53) are cleaved by thrombin and factor Xa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-09-30 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.071, 78.578, 155.156 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.980 - 2.595 |
| R-factor | 0.1932 |
| Rwork | 0.191 |
| R-free | 0.23860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u69 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.855 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.130 | 0.590 |
| Number of reflections | 20364 | |
| <I/σ(I)> | 12.6 | 1.9 |
| Completeness [%] | 97.7 | 86.5 |
| Redundancy | 6.5 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.1M TRIS-HCL PH 8.5, 0.2M LITHIUM SULFATE, 25% (W/V) PEG 3350 |
