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 |