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 |
