8SIW
Structure of Compound 5 bound to the CHK1 10-point mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.998, 66.121, 110.295 |
| Unit cell angles | 90.00, 101.27, 90.00 |
Refinement procedure
| Resolution | 108.170 - 1.877 |
| R-factor | 0.2209 |
| Rwork | 0.219 |
| R-free | 0.25810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.920 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7 (20-MAY-2020)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 108.170 | 2.014 |
| High resolution limit [Å] | 1.853 | 1.853 |
| Number of reflections | 27515 | 727 |
| <I/σ(I)> | 7.8 | |
| Completeness [%] | 84.6 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.998 | 0.510 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 11% PEG 8000, 15-20% ethylene glycol, 0.1 M MES (pH 6.5), 5% 6-aminohexanoic acid |
