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 |