4BCF
Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | H 3 |
Unit cell lengths | 172.316, 172.316, 98.820 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 82.393 - 3.011 |
R-factor | 0.169 |
Rwork | 0.167 |
R-free | 0.22440 |
Structure solution method | OTHER |
RMSD bond length | 0.011 |
RMSD bond angle | 1.556 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 82.390 | 3.170 |
High resolution limit [Å] | 3.010 | 3.010 |
Rmerge | 0.050 | 0.390 |
Number of reflections | 20836 | |
<I/σ(I)> | 11.37 | 1.97 |
Completeness [%] | 96.2 | 96.6 |
Redundancy | 2.93 | 2.94 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.2 | 277 | CRYSTALS WERE GROWN AT 4C IN 10-16% PEG 1000, 100MM NAK-PHOSPHATE PH 6.2, 500MM NACL, 4MM TCEP. THEY WERE SUBSEQUENTLY SOAKED IN THE PRESENCE OF THE COMPOUND. |