5AR5
RIP2 Kinase Catalytic Domain (1 - 310) complex with Benzimidazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-20 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 132.176, 132.176, 107.667 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.660 |
| R-factor | 0.1718 |
| Rwork | 0.170 |
| R-free | 0.21661 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ar4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.340 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.000 | 2.800 |
| High resolution limit [Å] | 2.660 | 2.660 |
| Rmerge | 0.090 | 0.380 |
| Number of reflections | 31581 | |
| <I/σ(I)> | 11.8 | 3.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2M CACL2, 5% GLYCEROL, 0.1M HEPES PH 7.5, 26.6% PEG400 |
