2GN9
Crystal structure of UDP-GlcNAc inverting 4,6-dehydratase in complex with NADP and UDP-Glc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2002-03-11 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 63 |
Unit cell lengths | 112.376, 112.376, 107.349 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.800 |
Rwork | 0.220 |
R-free | 0.30700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sb8 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.083 | 0.259 |
Number of reflections | 18312 | 1849 |
<I/σ(I)> | 8.7 | |
Completeness [%] | 99.6 | |
Redundancy | 6.5 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 10% (v/v) PEG-200, 100 mM MES, 5% (v/w) PEG-3000, 4% (v/v) acetone, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |