2AZP
Crystal Structure of PA1268 Solved by Sulfur SAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-07-22 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 74.358, 90.025, 104.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 16.740 - 2.130 |
| R-factor | 0.175 |
| Rwork | 0.175 |
| R-free | 0.20900 |
| Structure solution method | SULFUR SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 16.740 | 2.200 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rmerge | 0.035 | 0.081 |
| Number of reflections | 31848 | |
| <I/σ(I)> | 52.15 | 7.12 |
| Completeness [%] | 82.4 | 19.6 |
| Redundancy | 11.9 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 293 | PEG 5K, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 6.50 |
