3TNI
structure of CDK9/cyclin T F241L
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-07-23 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9778 |
| Spacegroup name | H 3 |
| Unit cell lengths | 173.610, 173.610, 97.470 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.093 - 3.234 |
| R-factor | 0.1657 |
| Rwork | 0.163 |
| R-free | 0.20960 |
| Structure solution method | Rigid body refinement |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.344 |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 59.527 | 81.787 | 3.410 |
| High resolution limit [Å] | 3.234 | 10.230 | 3.230 |
| Rmerge | 0.032 | 0.489 | |
| Total number of observations | 1822 | 8830 | |
| Number of reflections | 17300 | ||
| <I/σ(I)> | 9.9 | 17.8 | 1.6 |
| Completeness [%] | 98.8 | 96.4 | 99.7 |
| Redundancy | 3.4 | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 277 | 8% PEG1K, 600mM NaCL, 100mM Na/K phosphate, 4mM TCEP, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
