6QUA
The complex structure of hsRosR-SG (vng0258/RosR-SG)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-03 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 1 |
Unit cell lengths | 47.279, 84.665, 90.400 |
Unit cell angles | 81.91, 87.13, 75.61 |
Refinement procedure
Resolution | 45.790 - 2.681 |
R-factor | 0.2407 |
Rwork | 0.238 |
R-free | 0.28930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | The starting model for molecular replacement was VNG0258H/RosR (from KCl; PDB code 6FDH) and a DNA model derived from Mycobacterium tuberculosis MosR (PDB code 4FX4) but with the SG sequence. |
RMSD bond length | 0.004 |
RMSD bond angle | 0.634 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.790 | 2.839 |
High resolution limit [Å] | 2.560 | 2.560 |
Rmerge | 0.089 | |
Number of reflections | 22780 | |
<I/σ(I)> | 7.4 | |
Completeness [%] | 84.4 | |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | The complex crystallized from a buffer containing 20 mM HEPES, pH 7, 2 M KCl and 0.02% azide, DNA/hsRosR ratio = 1.83. 2.96 M (NH4)2SO4, 30 mM MnCl2 and 0.02% azide. |