6IL9
One Glycerol complexed Crystal structure of fructuronate-tagaturonate epimerase UxaE from Cohnella laeviribosi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-03 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.98000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 147.148, 52.350, 73.997 |
Unit cell angles | 90.00, 103.41, 90.00 |
Refinement procedure
Resolution | 35.785 - 1.720 |
R-factor | 0.183340469848 |
Rwork | 0.182 |
R-free | 0.21755 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ilb |
RMSD bond length | 0.006 |
RMSD bond angle | 0.776 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.750 |
High resolution limit [Å] | 1.720 | 4.670 | 1.720 |
Rmerge | 0.105 | 0.103 | 0.469 |
Rmeas | 0.114 | 0.112 | 0.508 |
Rpim | 0.043 | 0.043 | 0.194 |
Number of reflections | 58374 | 3043 | 2896 |
<I/σ(I)> | 8.2 | ||
Completeness [%] | 99.9 | 100 | 99.5 |
Redundancy | 6.8 | 6.8 | 6.7 |
CC(1/2) | 0.964 | 0.918 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 8.5 | 287 | 0.2 M MgCl2, 15% (w/v) PEG 3350, and 0.1 M Tris (base)/HCl (pH 8.5) |