8R9S
A soakable crystal form of human CDK7 in complex with AMP-PNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-X |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-08 |
| Detector | DECTRIS EIGER R 1M |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.294, 145.584, 66.833 |
| Unit cell angles | 90.00, 95.70, 90.00 |
Refinement procedure
| Resolution | 35.120 - 2.780 |
| R-factor | 0.24008 |
| Rwork | 0.237 |
| R-free | 0.29620 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.439 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.950 | 3.028 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Rmeas | 0.300 | 0.632 |
| Number of reflections | 12346 | 618 |
| <I/σ(I)> | 3.54 | 1.3 |
| Completeness [%] | 84.7 | |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% Glycerol .02M KNa tartrate .02M NH4 acetate .02M Na formate .02M Na oxamate .02M Na3 citrate 10% PEG 4000 .1M pH=7.5 MOPS/NaHEPES |
