4CR8
Crystal structure of the N-acetyl-D-mannosamine dehydrogenase with NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 294 |
Detector technology | CCD |
Collection date | 2011-12-05 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 158.950, 146.787, 90.418 |
Unit cell angles | 90.00, 115.29, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.200 |
R-factor | 0.22347 |
Rwork | 0.222 |
R-free | 0.25335 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2d1y |
RMSD bond length | 0.012 |
RMSD bond angle | 1.413 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.140 | 0.390 |
Number of reflections | 89504 | |
<I/σ(I)> | 5.1 | 1.9 |
Completeness [%] | 99.4 | 99.2 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 8 % (W/V) PEG 4000 |