3MY1
Structure of CDK9/cyclinT1 in complex with DRB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00550 |
Spacegroup name | H 3 |
Unit cell lengths | 173.789, 173.789, 99.221 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.476 - 2.800 |
R-factor | 0.1753 |
Rwork | 0.173 |
R-free | 0.21420 |
Structure solution method | Rigid body refinement |
Starting model (for MR) | 3blh |
RMSD bond length | 0.008 |
RMSD bond angle | 1.158 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.490 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.066 | 0.597 |
Number of reflections | 27472 | |
<I/σ(I)> | 6.87 | 2.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.6 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6.5 | 277 | 12% PEG 1000, 100mM sodium/potassium phosphate at pH 6.2, 500mM NaCl, 2mM TCEP as a reservoir solution, EVAPORATION, temperature 277K |