1V1J
Crystal structure of type II Dehydroquintae Dehydratase from Streptomyces coelicolor in complex with 3-fluoro
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-10-15 |
| Detector | MACSCIENCE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 116.475, 138.941, 141.925 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.21745 |
| Rwork | 0.215 |
| R-free | 0.23811 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1guo |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.160 | 0.770 |
| Number of reflections | 113346 | |
| <I/σ(I)> | 6.97 | 1.85 |
| Completeness [%] | 96.6 | 99.5 |
| Redundancy | 3.2 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | PEG 8000, NA/K PHOSPHATE, TRIS BUFFER, pH 7.50 |
