6O8K
Crystal Structure of apo and reduced Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2017-06-13 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.072152 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 46.849, 46.849, 163.306 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.778 - 2.120 |
R-factor | 0.2253 |
Rwork | 0.223 |
R-free | 0.26420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pqk |
RMSD bond length | 0.014 |
RMSD bond angle | 1.290 |
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] | 54.440 | 2.190 |
High resolution limit [Å] | 2.120 | 2.120 |
Rmeas | 0.083 | |
Rpim | 0.019 | |
Number of reflections | 6628 | |
<I/σ(I)> | 26.6 | |
Completeness [%] | 100.0 | |
Redundancy | 19.4 | |
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Crystallization buffer: 2.5M ammonium sulfate, 0.1M sodium acetate pH 4.6; Protein buffer: 20 mM Tris pH 8, 200 mM NaCl, 2mM TCEP, 2mM EDTA, 5% glycerol; SqrR 6 mg/ml |