8R9U
A soakable crystal form of human CDK7 in complex with AMP-PNP
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 | 2020-10-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9998 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.303, 127.711, 142.684 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.340 - 1.937 |
| R-factor | 0.2782 |
| Rwork | 0.275 |
| R-free | 0.34010 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.170 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.8 (16-JUL-2021)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.340 | 2.210 |
| High resolution limit [Å] | 1.930 | 1.940 |
| Rmeas | 0.202 | 0.946 |
| Number of reflections | 28311 | 1413 |
| <I/σ(I)> | 7.28 | 1.8 |
| Completeness [%] | 83.8 | |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1M (NH4)3 citrate 15% PEG 3350 |
