6Q4I
CDK2 in complex with FragLite35
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.314, 72.573, 72.038 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.180 - 1.110 |
| R-factor | 0.16624 |
| Rwork | 0.165 |
| R-free | 0.19246 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hck |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.895 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.310 | 1.130 |
| High resolution limit [Å] | 1.110 | 1.110 |
| Rmerge | 0.080 | 0.770 |
| Number of reflections | 99386 | 4954 |
| <I/σ(I)> | 11.4 | 1.4 |
| Completeness [%] | 89.8 | 44.3 |
| Redundancy | 6.1 | 2.6 |
| CC(1/2) | 0.990 | 0.550 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5 |
