1NPR
CRYSTAL STRUCTURE OF AQUIFEX AEOLICUS NUSG IN C222(1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 2000-10-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 65.950, 124.580, 83.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 * - 2.220* |
| Rwork | 0.236 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1npp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 23.900 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 * | 2.260 |
| High resolution limit [Å] | 2.220 * | 2.220 * |
| Rmerge | 0.058 | 0.619 |
| Number of reflections | 16961 | |
| <I/σ(I)> | 30 | 1.9 |
| Completeness [%] | 96.3 | 85.2 |
| Redundancy | 4.11 * | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 * | 291 | Andrykovitch, M., (2002) Acta Crystallogr., D58, 2157. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 30 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | pH8.0 |
| 3 | 1 | drop | 200 (mM) | ||
| 4 | 1 | drop | EDTA | 2 (mM) | |
| 5 | 1 | drop | dithiothreitol | 10 (mM) | |
| 6 | 1 | reservoir | sodium HEPES | 0.085 (M) | pH7.5 |
| 7 | 1 | reservoir | glycerol | 15 (%) | |
| 8 | 1 | reservoir | 2-propanol | 11 (%) | |
| 9 | 1 | reservoir | PEG4000 | 20 (%) |
