4ZSE
Crystal structure of EGFR 696-1022 T790M/V948R, crystal form II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-07-28 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.820, 102.317, 86.752 |
Unit cell angles | 90.00, 101.24, 90.00 |
Refinement procedure
Resolution | 23.859 - 1.970 |
R-factor | 0.1913 |
Rwork | 0.190 |
R-free | 0.21260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ZQJ |
RMSD bond length | 0.015 |
RMSD bond angle | 1.378 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.052 | 0.325 |
Number of reflections | 82387 | |
<I/σ(I)> | 15.9 | 2 |
Completeness [%] | 94.3 | 88.9 |
Redundancy | 2.4 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 25% PEG 3350, 100mM Bis-Tris pH 6.0 |