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 |
