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 |