6B8A
Crystal structure of MvfR ligand binding domain in complex with M64
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 110.556, 121.524, 112.757 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.780 - 2.650 |
| R-factor | 0.2178 |
| Rwork | 0.216 |
| R-free | 0.25113 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jvd |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.320 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.2.0005) |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.780 | 2.900 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.040 | 0.438 |
| Number of reflections | 21542 | 4980 |
| <I/σ(I)> | 15.46 | 2.38 |
| Completeness [%] | 96.1 | 95.2 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 31% MPD, 90 mM imidazole pH 8.0, 180mM MgCl2, 10mM Co(NH3)6Cl3 |
