5CAO
EGFR kinase domain mutant "TMLR" with compound 29
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2013-05-22 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97949 |
Spacegroup name | I 2 3 |
Unit cell lengths | 149.159, 149.159, 149.159 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.800 - 2.600 |
R-factor | 0.2032 |
Rwork | 0.202 |
R-free | 0.23050 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.000 |
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] | 24.800 |
High resolution limit [Å] | 2.600 |
Number of reflections | 17033 |
<I/σ(I)> | 20.9 |
Completeness [%] | 99.9 |
Redundancy | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | PEG 10000, ethlyene glycol |