3TNH
CDK9/cyclin T in complex with CAN508
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 | 2011-07-23 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9778 |
| Spacegroup name | H 3 |
| Unit cell lengths | 173.300, 173.300, 97.220 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.265 - 3.202 |
| R-factor | 0.1791 |
| Rwork | 0.177 |
| R-free | 0.22570 |
| Structure solution method | Rigid body refinement |
| Starting model (for MR) | 3blh |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.526 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.000 | 49.000 | 3.290 |
| High resolution limit [Å] | 3.200 | 14.320 | 3.200 |
| Rmerge | 0.016 | 0.537 | |
| Number of reflections | 17892 | ||
| <I/σ(I)> | 41.2 | 0.8 | |
| Completeness [%] | 99.8 | 96.3 | 99.9 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 277 | 14% PEG 1K, 100mM Na K phosphate, 600mM NaCl, 4mM TCEP, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
