3DCF
Crystal structure of transcriptional regulator of the TetR/AcrR family (YP_290855.1) from THERMOBIFIDA FUSCA YX-ER1 at 2.50 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-13 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97968,0.97917,0.91837 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.870, 67.620, 72.980 |
| Unit cell angles | 90.00, 104.23, 90.00 |
Refinement procedure
| Resolution | 29.074 - 2.500 |
| R-factor | 0.243 |
| Rwork | 0.241 |
| R-free | 0.27700 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.438 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.074 | 2.590 | |
| High resolution limit [Å] | 2.500 | 5.350 | 2.500 |
| Rmerge | 0.047 | 0.027 | 0.352 |
| Number of reflections | 15426 | 3064 | 2486 |
| <I/σ(I)> | 11.12 | 22.5 | 2.3 |
| Completeness [%] | 93.6 | 97.2 | 81.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 31.0% 2-methyl-2,4-pentanediol, 0.2M sodium chloride, 0.1M TRIS pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
