1DXG
CRYSTAL STRUCTURE OF DESULFOREDOXIN FROM DESULFOVIBRIO GIGAS AT 1.8 A RESOLUTION
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 269 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 42.180, 42.180, 72.220 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 1.800 |
| R-factor | 0.169 |
| Rwork | 0.169 |
| R-free | 0.18700 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 27.300 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 |
| Phasing software | PROTEIN |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 11.400 | 1.870 |
| High resolution limit [Å] | 1.800 | 1.830 |
| Rmerge | 0.083 | |
| Total number of observations | 31254 * | |
| Number of reflections | 6529 | |
| Completeness [%] | 94.2 | 82.4 |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.6 * | 10% PEG 4K, 0.1M SODIUM ACETATE (PH 4.5) |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | |
| 3 | 1 | reservoir | PEG4000 | 10 (%) | |
| 4 | 1 | reservoir | sodium acetate | 0.1 (M) | |
| 5 | 1 | reservoir | lithium sulfate | 0.8 (M) | |
| 6 | 1 | reservoir | sodium acetate | 0.1 (M) |
