5U6C
Crystal structure of the Mer kinase domain in complex with a macrocyclic inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-08-08 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.692, 92.330, 69.269 |
| Unit cell angles | 90.00, 100.80, 90.00 |
Refinement procedure
| Resolution | 25.340 - 2.100 |
| R-factor | 0.214 |
| Rwork | 0.211 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p0c |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | CNX |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.000 | 2.250 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rmerge | 0.063 | 0.425 |
| Number of reflections | 35110 | |
| <I/σ(I)> | 11.1 | 2.5 |
| Completeness [%] | 98.7 | 98.5 |
| Redundancy | 3.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 286 | 0.2 M Magnesium chloride, 28-35% PEG 600, 0.1 M Tris (pH 8.7-9.0) |
