3F8F
Crystal structure of multidrug binding transcriptional regulator LmrR complexed with Daunomycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.450, 53.025, 147.116 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.880 - 2.200 |
| R-factor | 0.23465 |
| Rwork | 0.232 |
| R-free | 0.27960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f8b |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.651 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.884 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.071 | 0.273 |
| Total number of observations | 7225 | |
| Number of reflections | 14655 | |
| <I/σ(I)> | 6.6 | 2.7 |
| Completeness [%] | 99.4 | 99.9 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 25% PEG1500, 0.1M malonic acid/imidazol/boric (MIB) buffer, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
