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 |
