1QFE
THE STRUCTURE OF TYPE I 3-DEHYDROQUINATE DEHYDRATASE FROM SALMONELLA TYPHI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.490, 45.390, 85.470 |
| Unit cell angles | 90.00, 95.48, 90.00 |
Refinement procedure
| Resolution | 12.000 - 2.100 |
| R-factor | 0.199 * |
| Rwork | 0.199 |
| R-free | 0.24700 |
| Structure solution method | MIR |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.000 | |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.104 | |
| Total number of observations | 66770 * | |
| Number of reflections | 23517 | |
| Completeness [%] | 86.1 | 74.7 |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 * | 4 * | Boys, C.W.G., (1992) J.Mol.Biol., 227, 352. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | phosphate | 50 (mM) | |
| 2 | 1 | drop | dithiothreitol | 0.5 (mM) | |
| 3 | 1 | drop | protein | 14 (mg/ml) | |
| 4 | 1 | reservoir | PEG4000 | 33 (%(w/v)) | |
| 5 | 1 | reservoir | citrate phosphate | 100 (mM) |
