3WKG
Crystal structure of cellobiose 2-epimerase in complex with glucosylmannose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-11-24 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.893, 87.691, 94.191 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.750 - 1.470 |
R-factor | 0.168 |
Rwork | 0.167 |
R-free | 0.19390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wkf |
RMSD bond length | 0.006 |
RMSD bond angle | 1.115 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX ((AutoMR: 1.7.1_743)) |
Refinement software | PHENIX ((phenix.refine: dev_1389)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.560 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.076 | 0.511 |
Number of reflections | 59748 | |
<I/σ(I)> | 16.8 | 3.8 |
Completeness [%] | 99.8 | 99.2 |
Redundancy | 6.4 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 0.1M sodium acetate buffer pH4.5, 1.0M ammonium hydrogen phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |