6O8L
Crystal Structure of C9S 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 | 2017-05-04 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.072152 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 46.375, 46.375, 159.640 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.309 - 1.360 |
R-factor | 0.15 |
Rwork | 0.148 |
R-free | 0.18820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pqj |
RMSD bond length | 0.006 |
RMSD bond angle | 0.880 |
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] | 53.210 | 1.410 |
High resolution limit [Å] | 1.360 | 1.360 |
Rmerge | 0.858 | |
Rmeas | 0.004 | 0.911 |
Rpim | 0.009 | |
Number of reflections | 22858 | |
<I/σ(I)> | 44.3 | 2 |
Completeness [%] | 97.3 | 89.9 |
Redundancy | 17.4 | 8.7 |
CC(1/2) | 1.000 | 0.757 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Crystallization condition: sodium citrate 1.8 M pH 6.4; Protein buffer: 20 mM Tris pH 8, 200 mM NaCl, 2mM TCEP, 2mM EDTA, 5% glycerol; SqrR 6 mg/ml |