3GDG
Crystal structure of the NADP-dependent mannitol dehydrogenase from Cladosporium herbarum.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-09-13 |
Detector | MAR CCD 165 mm |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 82.707, 112.089, 107.292 |
Unit cell angles | 90.00, 98.28, 90.00 |
Refinement procedure
Resolution | 19.860 - 2.300 |
R-factor | 0.228 |
Rwork | 0.228 |
R-free | 0.29600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1edo |
RMSD bond length | 0.010 |
RMSD bond angle | 1.380 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.067 | 0.141 |
Number of reflections | 41671 | |
<I/σ(I)> | 13.4 | 6.8 |
Completeness [%] | 97.1 | 96.8 |
Redundancy | 2.4 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 277 | 45% MPD, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |