2EH3
Crystal structure of aq_1058, a transcriptional regulator (TerR/AcrR family) from Aquifex aeolicus VF5
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-12 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 0.97882, 0.90, 0.979383 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 49.857, 54.919, 73.144 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.920 - 1.550 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.22100 |
| Structure solution method | MAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.047 | 0.242 |
| Number of reflections | 29851 | |
| <I/σ(I)> | 40.3 | 3.95 |
| Completeness [%] | 99.9 | 99.1 |
| Redundancy | 6.8 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 293 | 0.2M Calcium chloride dihydrate, 0.1M HEPES sodium, 28% v/v Polyethylene glycol 400, pH 7.5, EVAPORATION, temperature 293K |
