3WKF
Crystal structure of cellobiose 2-epimerase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.946, 87.487, 94.006 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.022 - 1.743 |
R-factor | 0.1592 |
Rwork | 0.158 |
R-free | 0.18530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vw5 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.088 |
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 | 1.810 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.101 | 0.448 |
Number of reflections | 36127 | |
<I/σ(I)> | 22.8 | 4 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 10.6 | 9.1 |
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 |