8BU5
Structure of DDB1 bound to SR-4835-engaged CDK12-cyclin K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-09-21 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 249.938, 249.938, 219.302 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 60.580 - 3.134 |
R-factor | 0.1996 |
Rwork | 0.199 |
R-free | 0.22010 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.008 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 216.453 | 3.333 |
High resolution limit [Å] | 3.134 | 3.134 |
Number of reflections | 108210 | 5410 |
<I/σ(I)> | 15.1 | |
Completeness [%] | 96.4 | |
Redundancy | 21 | |
CC(1/2) | 0.999 | 0.445 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.28 M ammonium sulphate, 0.72 M ammonium citrate tribasic pH 7.0, 0.07 M HEPES pH 7.0 |