5AR7
RIP2 Kinase Catalytic Domain (1 - 310) complex with Biaryl Urea
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-08 |
Detector | ADSC CCD |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 131.600, 131.600, 107.540 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.130 - 2.710 |
R-factor | 0.1836 |
Rwork | 0.181 |
R-free | 0.22520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ar4 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.100 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.000 | 2.860 |
High resolution limit [Å] | 2.710 | 2.710 |
Rmerge | 0.090 | 0.350 |
Number of reflections | 29605 | |
<I/σ(I)> | 10.2 | 3.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 4.1 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 30% PEG300, 0.1M MES PH6.5 |