5LOH
Kinase domain of human Greatwall
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-06-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03667 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.897, 80.283, 179.939 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.050 - 3.100 |
| R-factor | 0.2091 |
| Rwork | 0.206 |
| R-free | 0.26530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h1w |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.609 |
| Data reduction software | XDS (Oct 15, 2015) |
| Data scaling software | Aimless (0.3.5) |
| Phasing software | PHASER (2.5.2) |
| Refinement software | PHENIX (1.10.1-2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.050 | 3.180 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.182 | 1.286 |
| Number of reflections | 13060 | |
| <I/σ(I)> | 6.7 | 1.1 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 4.5 | 4.6 |
| CC(1/2) | 0.985 | 0.381 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.2 M ammonium citrate, 20% w/v polyethylene glycol 3350 |
