4BKJ
Crystal structure of the human DDR1 kinase domain in complex with imatinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-17 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.074, 60.074, 180.575 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.140 - 1.700 |
| R-factor | 0.15656 |
| Rwork | 0.156 |
| R-free | 0.17556 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zos |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.235 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.140 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.080 | 0.630 |
| Number of reflections | 72847 | |
| <I/σ(I)> | 13.5 | 2.9 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 6.5 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1M BIS-TRIS PH 6.3, 34% PEG 3350 |
