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 |
