5HCZ
EGFR kinase domain mutant "TMLR" with 3-azetidinyl azaindazole compound 21
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 110 |
Detector technology | PIXEL |
Collection date | 2013-12-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | I 2 3 |
Unit cell lengths | 146.449, 146.449, 146.449 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.960 - 2.620 |
R-factor | 0.1955 |
Rwork | 0.194 |
R-free | 0.22690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5em5 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.090 |
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] | 24.500 | 2.720 |
High resolution limit [Å] | 2.620 | 2.620 |
Rmerge | 0.617 | |
Number of reflections | 15659 | |
<I/σ(I)> | 28.3 | 2.6 |
Completeness [%] | 99.0 | 100 |
Redundancy | 5.5 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | PEG 10K, ethylene glycol |