7BJM
Crystal structure of CHK1-10pt-mutant complex with compound 10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-01-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.930, 65.950, 54.290 |
| Unit cell angles | 90.00, 101.31, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.178 |
| Rwork | 0.175 |
| R-free | 0.23090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5oop |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.454 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.200 | 2.350 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.075 | 0.416 |
| Number of reflections | 13818 | 1051 |
| <I/σ(I)> | 7.9 | 2.2 |
| Completeness [%] | 97.9 | 98.6 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 7% PEG 8000, 0.1 M MES buffer pH 6.5, 20% ethylene glycol |
