5L7E
MCR IN COMPLEX WITH ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.971 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.620, 77.830, 78.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.350 - 1.860 |
| R-factor | 0.1807 |
| Rwork | 0.180 |
| R-free | 0.19730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | BUSTER (2.11.1 PACIOREK) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.860 |
| Rmerge | 0.071 |
| Number of reflections | 25505 |
| <I/σ(I)> | 15.1 |
| Completeness [%] | 99.0 |
| Redundancy | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 293 | 1.6 M AMS 0.1 M CHES pH 9.5 15% EG 10% Morpheus F12 |
