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 |
