2P9J
Crystal structure of AQ2171 from Aquifex aeolicus
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97930, 0.90000, 0.97945 |
| Spacegroup name | P 42 |
| Unit cell lengths | 121.325, 121.325, 86.897 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.920 - 2.400 |
| R-factor | 0.21894 |
| Rwork | 0.216 |
| R-free | 0.26771 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.219 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.920 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.079 | 0.353 |
| Number of reflections | 49520 | |
| <I/σ(I)> | 25.2 | 4.39 |
| Completeness [%] | 100 | |
| Redundancy | 7.6 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.69 | 291 | 25% w/v PEG 4000, 0.1 M Na Acetate, Acetic acid pH 4.69, 0.2M Ammonium Acetate, MICROBATCH, temperature 291K |
