6O8O
Crystal Structure of C9S disulfide state of 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 | 2018-08-08 |
Detector | RDI CMOS_8M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 92.600, 92.600, 148.980 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.660 - 2.500 |
R-factor | 0.2307 |
Rwork | 0.229 |
R-free | 0.26040 |
Structure solution method | SAD |
RMSD bond length | 0.003 |
RMSD bond angle | 0.525 |
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] | 49.660 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmeas | 0.115 | |
Rpim | 0.025 | 0.622 |
Number of reflections | 24511 | 2489 |
<I/σ(I)> | 27.2 | 1.7 |
Completeness [%] | 99.7 | 100 |
Redundancy | 21.1 | 18.7 |
CC(1/2) | 1.000 | 0.660 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Crystallization buffer: 0.1M Bis-tris propane pH 5.5-6.5, 1.6-1.85M Ammonium sulfate; Protein buffer: 20 mM Tris pH=8, 200 mM NaCl, 2mM EDTA, SqrR 6 mg/ml |