5W6O
Choline Kinase Alpha in Complex with TCD-717
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2016-08-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.950, 122.350, 131.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 89.540 - 2.350 |
| R-factor | 0.20979 |
| Rwork | 0.207 |
| R-free | 0.26834 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.498 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 2.340 |
| Number of reflections | 38250 |
| <I/σ(I)> | 13.35 |
| Completeness [%] | 98.6 |
| Redundancy | 4.88 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M MES pH 6.5 18% PEG 3350 |
