3VJN
Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with AMPPNP.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-17 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.000 |
Spacegroup name | I 2 3 |
Unit cell lengths | 143.946, 143.946, 143.946 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.470 - 2.340 |
Rwork | 0.197 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gs2 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.420 |
High resolution limit [Å] | 2.340 | 2.340 |
Number of reflections | 21045 | |
<I/σ(I)> | 25.79 | 3.778 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.295 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M Tris-HCl(pH 7.0), 0.2M NaCl, 1M Sodium citrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |