5LWK
MaeR response regulator bound to beryllium trifluoride
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-06-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97624 |
| Spacegroup name | I 41 |
| Unit cell lengths | 75.795, 75.795, 147.555 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.420 - 2.110 |
| R-factor | 0.204 |
| Rwork | 0.203 |
| R-free | 0.23110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zh4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.272 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.420 | 27.500 | 2.220 |
| High resolution limit [Å] | 2.110 | 6.670 | 2.110 |
| Rmerge | 0.022 | 0.674 | |
| Rmeas | 0.048 | ||
| Rpim | 0.017 | ||
| Total number of observations | 179137 | ||
| Number of reflections | 23899 | ||
| <I/σ(I)> | 22.1 | 25.3 | 1.1 |
| Completeness [%] | 99.8 | 98 | 98.9 |
| Redundancy | 7.5 | 6.9 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 1.2M magnesium sulfate 0.1M Mes pH 6.5 |
