3LQ5
Structure of CDK9/CyclinT in complex with S-CR8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97950 |
| Spacegroup name | H 3 |
| Unit cell lengths | 173.249, 173.249, 99.241 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.343 - 3.000 |
| R-factor | 0.165 |
| Rwork | 0.162 |
| R-free | 0.21470 |
| Structure solution method | Rigid Body Refinement |
| Starting model (for MR) | 3blh |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.153 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX (1.5_2) |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.010 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.074 | 0.542 |
| Number of reflections | 21867 | |
| <I/σ(I)> | 7.44 | 2.1 |
| Completeness [%] | 98.4 | 99.3 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 277 | 14% PEG 1000, 100mM NaK-Phosphate pH 6.2, 500mM NaCl, 4mM TCEP , VAPOR DIFFUSION, SITTING DROP, temperature 277K |
