6Q4H
CDK2 in complex with FragLite36
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.916 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.152, 72.219, 71.932 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.840 - 1.000 |
| R-factor | 0.19175 |
| Rwork | 0.191 |
| R-free | 0.20663 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hck |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.005 |
| 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] | 72.220 | 1.020 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.070 | 0.580 |
| Number of reflections | 147934 | 7365 |
| <I/σ(I)> | 10.2 | 1.1 |
| Completeness [%] | 98.9 | 86.2 |
| Redundancy | 6 | 2.9 |
| CC(1/2) | 0.990 | 0.570 |
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 |
