6WJA
UDP-GlcNAc C4-epimerase mutant S121A/Y146F from Pseudomonas protegens in complex with UDP-GalNAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-26 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.075 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 123.582, 75.320, 79.258 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.910 - 2.094 |
R-factor | 0.158 |
Rwork | 0.156 |
R-free | 0.19530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sb8 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.897 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.094 | 2.100 |
Rmerge | 0.106 | 0.787 |
Number of reflections | 82883 | 4206 |
<I/σ(I)> | 26.5 | 3.1 |
Completeness [%] | 99.5 | |
Redundancy | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 21% PEG 4000, 0.1 M sodium citrate pH 5.6, 0.2 M ammonium sulfate |