7FEH
Crystal structure of human DDR1 in complex with CH5541127
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-07-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.390, 61.700, 63.110 |
| Unit cell angles | 90.00, 106.22, 90.00 |
Refinement procedure
| Resolution | 38.780 - 1.610 |
| R-factor | 0.1676 |
| Rwork | 0.166 |
| R-free | 0.20570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | xia2 (0.3.1.6) |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.782 | 38.782 | 1.660 |
| High resolution limit [Å] | 1.610 | 7.220 | 1.610 |
| Rmerge | 0.032 | 0.400 | |
| Rmeas | 0.062 | 0.038 | 0.476 |
| Rpim | 0.033 | 0.020 | 0.255 |
| Number of reflections | 38162 | 454 | 2790 |
| <I/σ(I)> | 13.7 | 16.8 | 1.8 |
| Completeness [%] | 99.5 | 98.9 | 100 |
| Redundancy | 3.4 | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 285 | 10 mg/mL protein, 1 mM Ligand, 2 %(v/v) DMSO, 21.0 %(w/v) PEG 2000 MME, 0.25 M NaNO3, 0.1 M BIS-TRIS propane (pH 6.6), 5.0 %(v/v) PEG 400 |
