7NWK
Crystal structure of CDK9-Cyclin T1 bound by compound 6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-11-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | H 3 |
Unit cell lengths | 172.880, 172.880, 98.310 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.770 - 2.810 |
R-factor | 0.182 |
Rwork | 0.180 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | internal |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.440 | 3.140 |
High resolution limit [Å] | 2.810 | 2.810 |
Rmerge | 0.095 | 0.670 |
Rmeas | 0.108 | 0.759 |
Rpim | 0.051 | 0.354 |
Total number of observations | 116117 | 1171 |
Number of reflections | 26767 | 261 |
<I/σ(I)> | 13 | 2.4 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 4.3 | 4.2 |
CC(1/2) | 0.997 | 0.683 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 14% PEG1000, 100 mM sodium potassium phosphate, pH 6.2, 500 mM NaCl, 4 mM TCEP |