6FCF
CHK1 KINASE IN COMPLEX WITH COMPOUND 44
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9765 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.171, 65.469, 59.257 |
| Unit cell angles | 90.00, 93.66, 90.00 |
Refinement procedure
| Resolution | 14.980 - 1.850 |
| R-factor | 0.201 |
| Rwork | 0.200 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | autoBUSTER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.000 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 25883 | |
| <I/σ(I)> | 11.4 | |
| Completeness [%] | 94.2 | |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 16% Peg8k, 0.1M Caco pH 6.8, 0.15M AS |
