4ZAU
AZD9291 complex with wild type EGFR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-11-17 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 144.886, 144.886, 144.886 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.360 - 2.800 |
| R-factor | 0.19604 |
| Rwork | 0.193 |
| R-free | 0.24411 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wrg |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.578 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.360 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 12574 | |
| <I/σ(I)> | 20.9 | 2.3 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 38.1 | 38 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.1 M MES, 1 M sodium citrate |
