6GUE
CDK2/CyclinA in complex with AZD5438
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 | 2016-06-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.269, 133.224, 148.145 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 99.260 - 1.990 |
| R-factor | 0.19836 |
| Rwork | 0.197 |
| R-free | 0.23425 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h1s |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.779 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.260 | 2.020 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.100 | |
| Number of reflections | 99925 | |
| <I/σ(I)> | 12.1 | 1.2 |
| Completeness [%] | 98.6 | 93.2 |
| Redundancy | 6.5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | PROTEIN AT 5MG PER ML. 0.6 TO 0.8M KCL, 0.9 TO 1.2M (NH402SO4, AND 100MM HEPES (PH 7.0), 0.5mM Inhibitor |
