1PCW
Aquifex aeolicus KDO8PS in complex with cadmium and APP, a bisubstrate inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-01-27 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 84.480, 84.480, 159.070 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 21.470 - 1.850 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.22100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1jcx |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.470 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.117 | 0.598 |
| Number of reflections | 54587 | |
| <I/σ(I)> | 15.06 | 2.27 |
| Completeness [%] | 95.9 | 96 |
| Redundancy | 11.34 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 281 | PEG 4000, sodium acetate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 281K |
