6RN8
RIP2 Kinase Catalytic Domain complex with 2(4[(1,3benzothiazol5yl)amino]6(2methylpropane2sulfonyl)quinazolin7yl)oxy)ethyl phosphate
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 | 2012-05-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 132.060, 132.060, 107.480 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.190 - 2.690 |
| R-factor | 0.178 |
| Rwork | 0.176 |
| R-free | 0.21200 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5ar4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.320 | 2.760 |
| High resolution limit [Å] | 2.690 | 2.690 |
| Rmerge | 0.132 | 0.835 |
| Number of reflections | 30432 | 2189 |
| <I/σ(I)> | 12.7 | 2.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Morpheus G2. 0.1M Carboxylic acids, 0.1M buffer system 1 pH6.5, 50% Precipitant Mix 2 |
