9FMR
Structure of DDB1/Cdk12/Cyclin K with molecular glue SR-4835
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 249.521, 249.521, 218.535 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.710 - 3.900 |
| R-factor | 0.2091 |
| Rwork | 0.208 |
| R-free | 0.24980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.543 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 4.040 |
| High resolution limit [Å] | 3.900 | 3.900 |
| Number of reflections | 1401478 | 1811 |
| <I/σ(I)> | 5.9 | |
| Completeness [%] | 91.4 | |
| Redundancy | 19.6 | |
| CC(1/2) | 0.997 | 0.117 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 283 | 1 M potassium citrate and 15% glycerol |
