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 |