2UYF
Single mutant F111L DntR from Burkholderia sp. strain DNT in complex with thiocyanate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 106.604, 106.604, 296.448 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.208 |
| Rwork | 0.207 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uth |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.862 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC (- RIGID BODY REFINEMENT USING DATA IN RESOLUTION RANGE 30.0 - 3.0) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.080 | 0.530 |
| Number of reflections | 51204 | |
| <I/σ(I)> | 18.6 | 2.7 |
| Completeness [%] | 99.2 | 99.2 |
| Redundancy | 8.8 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1M IMIDAZOL PH 6.5 0.2M KSCN 1.2M NA ACETATE |
