4RJ8
EGFR kinase (T790M/L858R) with inhibitor compound 8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2013-11-20 |
Detector | RAYONIX MX300HS |
Wavelength(s) | 0.97857 |
Spacegroup name | I 2 3 |
Unit cell lengths | 146.624, 146.624, 146.624 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.190 - 2.500 |
R-factor | 0.1969 |
Rwork | 0.196 |
R-free | 0.22580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m17 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.4) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.500 |
Number of reflections | 18224 |
<I/σ(I)> | 25.3 |
Completeness [%] | 100.0 |
Redundancy | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | PEG 10,000, ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K |