8WBU
The crystal structure of circular mannose with mutant H247F of the cellobiose 2-epimerase from Caldicellulosiruptor saccharolyticus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 193 |
Detector technology | PIXEL |
Collection date | 2017-02-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.540, 75.350, 91.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.851 - 1.700 |
R-factor | 0.17 |
Rwork | 0.168 |
R-free | 0.20180 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.829 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.740 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.068 | 0.767 |
Number of reflections | 42563 | 3127 |
<I/σ(I)> | 13.64 | 2.15 |
Completeness [%] | 98.6 | 99.6 |
Redundancy | 4.6 | 4.8 |
CC(1/2) | 0.999 | 0.678 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.8 M NaCl, 0.1 M Tris-HCl pH 8.5, 32% PEG 3350 |