6WJB
UDP-GlcNAc C4-epimerase from Pseudomonas protegens in complex with NAD and UDP-GlcNAc
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 | 2012-07-27 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.075 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 123.040, 75.455, 79.156 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.920 - 2.100 |
R-factor | 0.1682 |
Rwork | 0.167 |
R-free | 0.19690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sb8 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.881 |
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] | 2.100 | 2.100 |
Rmerge | 0.080 | 0.580 |
Number of reflections | 43495 | 4230 |
<I/σ(I)> | 38.8 | 5.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.4 | 14.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 0.2 M ammonium sulphate, 0.1 M sodium citrate pH 5.6, 25% (w/v) PEG 4000 |