6VLC
Crystal structure of UDP-GlcNAc 2-epimerase from Neisseria meningitidis bound to UDP-GlcNAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.03317 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 124.880, 129.740, 213.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.970 - 2.150 |
R-factor | 0.1689 |
Rwork | 0.168 |
R-free | 0.21170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f6d |
RMSD bond length | 0.012 |
RMSD bond angle | 1.492 |
Data reduction software | XDS (January 10, 2014) |
Data scaling software | XSCALE (January 10, 2014 BUILT=20140307) |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.970 | 38.970 | 2.210 |
High resolution limit [Å] | 2.150 | 9.620 | 2.150 |
Rmerge | 0.054 | 0.014 | 0.480 |
Rmeas | 0.063 | 0.016 | 0.564 |
Total number of observations | 348834 | ||
Number of reflections | 92958 | 1068 | 6787 |
<I/σ(I)> | 18.68 | 67.18 | 2.45 |
Completeness [%] | 98.8 | 90.8 | 98.6 |
Redundancy | 3.753 | 3.687 | 3.59 |
CC(1/2) | 0.999 | 0.999 | 0.736 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 22% PEG-5000, 100 mM Sodium citrate/citric acid, pH 5.5, and 10 mM UDP-GlcNAc |