3BLQ
Crystal Structure of Human CDK9/cyclinT1 in Complex with ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.93300 |
| Spacegroup name | H 3 |
| Unit cell lengths | 173.130, 173.130, 95.640 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.501 - 2.900 |
| Rwork | 0.174 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3blh |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.745 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.700 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.085 | 0.512 |
| Number of reflections | 23641 | |
| <I/σ(I)> | 16.7 | 2.4 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.2 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.1M Tris, 20% PEG 1000, 0.5M NaCl, 4mM TCEP, 2mM AMPPNP, 2.4mM MgCl2, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
