7BJD
Crystal structure of CHK1-10pt-mutant complex with compound 3
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 | 2020-09-25 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.989, 65.559, 54.336 |
| Unit cell angles | 90.00, 102.19, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.000 |
| R-factor | 0.1639 |
| Rwork | 0.162 |
| R-free | 0.19690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5oop |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.620 |
| 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] | 43.970 | 1.940 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.074 | 1.310 |
| Number of reflections | 20985 | 1050 |
| <I/σ(I)> | 13.5 | 1.4 |
| Completeness [%] | 73.9 | 19.1 |
| Redundancy | 6.9 | 6.8 |
| CC(1/2) | 0.999 | 0.578 |
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 |
