5ZHB
Structure of Cellobiose 2-Epimerase from Bacillus thermoamylovorans B4167
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 176.979, 52.336, 129.602 |
Unit cell angles | 90.00, 129.94, 90.00 |
Refinement procedure
Resolution | 39.630 - 1.850 |
Rwork | 0.196 |
R-free | 0.23850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.621 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.041 | 0.606 |
Rmeas | 0.050 | 0.729 |
Number of reflections | 83031 | 5958 |
<I/σ(I)> | 15.72 | 1.64 |
Completeness [%] | 97.6 | 95.1 |
Redundancy | 3.17 | 3.11 |
CC(1/2) | 0.999 | 0.794 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M Trimethylamine-N-oxide, 0.1M Tris-HCl, pH8.5,20% PEG 4000 |