6ZLL
Crystal Structure of UDP-Glucuronic acid 4-epimerase from Bacillus cereus in complex with UDP-Galacturonic acid and NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 |
Unit cell lengths | 56.787, 62.652, 105.712 |
Unit cell angles | 91.92, 99.86, 91.98 |
Refinement procedure
Resolution | 46.090 - 1.850 |
R-factor | 0.1888 |
Rwork | 0.187 |
R-free | 0.22170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5u4q |
RMSD bond length | 0.009 |
RMSD bond angle | 1.580 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.090 | 1.898 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 107680 | 7482 |
<I/σ(I)> | 8.7 | |
Completeness [%] | 93.0 | |
Redundancy | 6.9 | |
CC(1/2) | 0.990 | 0.460 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 277 | 200 mM potassium acetate, 14-24% PEG3350, 2 mM NAD+, 2 mM UDP-Galacturonic acid |