7BKO
Crystal structure of CHK1 complex with compound 9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-07-01 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.011, 65.761, 58.102 |
| Unit cell angles | 90.00, 94.39, 90.00 |
Refinement procedure
| Resolution | 26.540 - 2.300 |
| R-factor | 0.2461 |
| Rwork | 0.241 |
| R-free | 0.33070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ia8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.790 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (7.1SSI) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 26.540 | 26.520 | 2.380 |
| High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
| Rmerge | 0.125 | 0.073 | 0.406 |
| Rmeas | 0.125 | ||
| Total number of observations | 4360 | 4086 | |
| Number of reflections | 26484 | 2414 | 2690 |
| <I/σ(I)> | 4.3 | 10.3 | 1.5 |
| Completeness [%] | 89.7 | 82.1 | 90.6 |
| Redundancy | 1.58 | 1.74 | 1.52 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 10-30% PEG8K 0.1M HEPES pH 7.5 15% isopropanol |
