6RNA
RIP2 Kinase Catalytic Domain complex with 2({4[(1,3benzothiazol5yl)amino]6(2methylpropane2sulfonyl)quinazolin7yl}oxy)ethan1ol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.95 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 132.420, 132.420, 107.170 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.110 - 2.620 |
| R-factor | 0.162 |
| Rwork | 0.161 |
| R-free | 0.19000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5ar4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| 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] | 78.300 | 2.760 |
| High resolution limit [Å] | 2.620 | 2.620 |
| Rmerge | 0.074 | 0.378 |
| Number of reflections | 32951 | 4758 |
| <I/σ(I)> | 15.9 | 4.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100mM Mes pH7, 12% PEG 400, 250mM CaCl2 |
