5HIB
EGFR kinase domain mutant "TMLR" with a pyrazolopyrimidine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2012-02-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00 |
Spacegroup name | I 2 3 |
Unit cell lengths | 146.357, 146.357, 146.357 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.280 - 2.850 |
R-factor | 0.1968 |
Rwork | 0.195 |
R-free | 0.23880 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.030 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.300 | 2.950 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.578 | |
Number of reflections | 12345 | |
<I/σ(I)> | 30.9 | 6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.4 | 13.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | PEG 10K, ethylene glycol |