1PE1
Aquifex aeolicus KDO8PS in complex with cadmium and 2-PGA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-12-31 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 84.434, 84.434, 159.751 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.050 - 1.740 |
| Rwork | 0.193 |
| R-free | 0.23700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1fws |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.000 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.050 | 1.800 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.064 | 0.283 |
| Number of reflections | 60747 | |
| <I/σ(I)> | 6.5 | 2.4 |
| Completeness [%] | 88.8 | 25.9 |
| Redundancy | 16.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 281 | PEG4000, Na-acetate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 281K |
