1UTH
DntR from Burkholderia sp. strain DNT in complex with Thiocyanate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 107.745, 107.745, 298.441 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 95.350 - 2.200 |
R-factor | 0.225 |
Rwork | 0.223 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1utb |
RMSD bond length | 0.017 |
RMSD bond angle | 1.774 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.094 | 0.536 |
Number of reflections | 50319 | |
<I/σ(I)> | 13.4 | 2.8 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 9.6 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | pH 8.50 |