5HCY
EGFR kinase domain mutant "TMLR" with 3-carboxamide azaindole compound 13
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 | 146.600, 146.600, 146.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.430 - 2.460 |
| R-factor | 0.1776 |
| Rwork | 0.176 |
| R-free | 0.22070 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.070 |
| 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] | 24.450 | 2.550 |
| High resolution limit [Å] | 2.460 | 2.460 |
| Rmerge | 0.450 | |
| Number of reflections | 18401 | |
| <I/σ(I)> | 23.7 | 3.6 |
| Completeness [%] | 96.0 | 99 |
| Redundancy | 5.8 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | PEG 10K, ethylene glycol |
