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 |