4KOA
Crystal Structure Analysis of 1,5-anhydro-D-fructose reductase from Sinorhizobium meliloti
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-03-16 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 68.895, 89.672, 94.487 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.480 - 1.930 |
| R-factor | 0.16061 |
| Rwork | 0.158 |
| R-free | 0.20971 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2glx |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.889 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.500 | 1.980 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.100 | 0.580 |
| Number of reflections | 22202 | |
| <I/σ(I)> | 26.85 | 4.66 |
| Completeness [%] | 99.2 | 91.5 |
| Redundancy | 14.3 | 12.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 100 mM BisTRIS, 50 mM ammonium sulphate, 20 % (w/v) PEG-3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
