3BLR
Crystal Structure of Human CDK9/cyclinT1 in complex with Flavopiridol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9765 |
Spacegroup name | H 3 |
Unit cell lengths | 173.922, 173.922, 97.173 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.960 - 2.800 |
Rwork | 0.176 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3blh |
RMSD bond length | 0.004 |
RMSD bond angle | 0.660 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.378 | 59.550 | 2.950 |
High resolution limit [Å] | 2.800 | 8.850 | 2.800 |
Rmerge | 0.093 | 0.064 | 0.585 |
Total number of observations | 4363 | 22770 | |
Number of reflections | 26960 | ||
<I/σ(I)> | 5 | 9.5 | 1.2 |
Completeness [%] | 99.8 | 95.4 | 100 |
Redundancy | 5.7 | 5.3 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 277 | 0.1M NaK phosphate, 20% PEG 1000, 0.2M NaCl, 4mM TCEP, 0.1mM Flavopiridol , pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K |