3S5R
Crystal structure of a putative transcriptional regulator of the TETR family (SYN_02108) from Syntrophus aciditrophicus at 2.60 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-09 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97936 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 74.433, 110.721, 126.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.279 - 2.600 |
R-factor | 0.2432 |
Rwork | 0.243 |
R-free | 0.25500 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
Data scaling software | XSCALE (December 6, 2010) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.8.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.279 | 29.279 | 2.690 |
High resolution limit [Å] | 2.600 | 5.570 | 2.600 |
Rmerge | 0.055 | 0.021 | 0.627 |
Number of reflections | 16314 | 2987 | 3000 |
<I/σ(I)> | 10.9 | 29.1 | 1.7 |
Completeness [%] | 98.2 | 94.7 | 99 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 15.00% Glycerol, 8.500% iso-Propanol, 17.00% PEG-4000, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |