1XKK
EGFR kinase domain complexed with a quinazoline inhibitor- GW572016
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2003-07-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.653, 67.144, 102.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.440 - 2.400 |
| Rwork | 0.209 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m14 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.440 | 2.550 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.067 | 0.190 |
| Number of reflections | 12199 | |
| <I/σ(I)> | 6.6 | |
| Completeness [%] | 94.6 | 93.1 |
| Redundancy | 4.6 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 100 mM CAPS, 200 mM LiSO4, 2M NaKPO4, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
