6HMX
RIP2 Kinase Catalytic Domain complex with N(4,5dimethyl1Hpyrazol3yl)7methoxy6(2methylpropane2sulfonyl)quinolin4amine
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 315 |
| Wavelength(s) | 0.95 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 132.541, 132.541, 107.179 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.400 - 2.530 |
| R-factor | 0.166 |
| Rwork | 0.164 |
| R-free | 0.19200 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.340 | 2.670 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Rmerge | 0.081 | 0.386 |
| Number of reflections | 36671 | 5309 |
| <I/σ(I)> | 16.4 | 4.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100mM Mes pH7 12% PEG400 250mM CaCl2 |
