5X2K
Crystal structure of EGFR 696-1022 T790M in complex with WZ4003
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2015-11-29 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 0.97774 |
Spacegroup name | I 2 3 |
Unit cell lengths | 149.273, 149.273, 149.273 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.091 - 3.201 |
R-factor | 0.2265 |
Rwork | 0.226 |
R-free | 0.24430 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.082 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 3.200 |
Number of reflections | 8977 |
<I/σ(I)> | 20.5 |
Completeness [%] | 100.0 |
Redundancy | 19.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1M Glycine pH 8.0, 38% PEG 300, 0.1M NaCl, 5mM tris(2-carboxyethyl)-phosphine (TCEP) |