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 |
