8CGC
Structure of CSF1R in complex with a pyrollopyrimidine (compound 23)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99187 |
| Spacegroup name | H 3 |
| Unit cell lengths | 81.013, 81.013, 143.237 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.895 - 1.925 |
| Rwork | 0.152 |
| R-free | 0.20590 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2i1m |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.380 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.895 | 1.994 |
| High resolution limit [Å] | 1.925 | 1.925 |
| Rmerge | 0.061 | 0.451 |
| Rmeas | 0.071 | 0.536 |
| Rpim | 0.036 | 0.282 |
| Number of reflections | 25909 | 2572 |
| <I/σ(I)> | 10.7 | 2.6 |
| Completeness [%] | 97.6 | 98.2 |
| Redundancy | 3.6 | 3.3 |
| CC(1/2) | 0.997 | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.3 M DL-Malic acid pH 7.0, 23.0% w/v PEG 3350 |
