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 |