5AP2
Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
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 | 2012-12-08 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 70.060, 103.960, 111.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.100 - 2.800 |
| R-factor | 0.1973 |
| Rwork | 0.195 |
| R-free | 0.25390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c4j |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.100 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.240 | |
| Number of reflections | 10320 | |
| <I/σ(I)> | 3 | 0.7 |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 5.8 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1M BIS-TRIS PROPANE PH 7.5, 22% (W/V) PEG3350, 0.1M MGCL2, 0.1M NA FORMATE CO-CRYSTAL WITH 1MM INHIBITOR |
