5Y25
EGFR kinase domain mutant (T790M/L858R) with covalent ligand NS-062
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-07-05 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 3 |
Unit cell lengths | 148.291, 148.291, 148.291 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.816 - 3.102 |
R-factor | 0.2167 |
Rwork | 0.213 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5edp |
RMSD bond length | 0.005 |
RMSD bond angle | 0.696 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.10.1_2155) |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.600 | 3.150 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.080 | 0.585 |
Rpim | 0.018 | 0.129 |
Number of reflections | 10020 | 502 |
<I/σ(I)> | 54.39 | 7.39 |
Completeness [%] | 100.0 | 100 |
Redundancy | 21.7 | 21.4 |
CC(1/2) | 0.968 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 100mM HEPES pH7.5, 10% PEG 10000, 8% ethylene glycol |