6JZ0
Crystal structure of EGFR kinase domain in complex with compound 78
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-21 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 3 |
Unit cell lengths | 145.124, 145.124, 145.124 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.496 - 2.860 |
R-factor | 0.1932 |
Rwork | 0.191 |
R-free | 0.24760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m17 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.024 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.960 |
High resolution limit [Å] | 2.860 | 6.150 | 2.860 |
Rmerge | 0.074 | 0.027 | 0.473 |
Number of reflections | 11675 | 1179 | 1172 |
<I/σ(I)> | 10.6 | ||
Completeness [%] | 97.9 | 93.5 | 99.8 |
Redundancy | 3.7 | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 1.0M Ammonium citrate tribase, 0.1M Bis-Tris propane, pH7.0 |