5D41
EGFR kinase domain in complex with mutant selective allosteric inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-002 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-07-07 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54180 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 155.133, 72.497, 75.998 |
Unit cell angles | 90.00, 113.24, 90.00 |
Refinement procedure
Resolution | 42.237 - 2.310 |
R-factor | 0.1755 |
Rwork | 0.174 |
R-free | 0.20700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gs7 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.134 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.240 | 2.393 |
High resolution limit [Å] | 2.310 | 2.310 |
Rmerge | 0.110 | 0.510 |
Number of reflections | 33377 | |
<I/σ(I)> | 10.4 | 2.9 |
Completeness [%] | 97.8 | 94 |
Redundancy | 3.4 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | Bis-Tris, PEG3350 |