2QUL
Crystal structure of D-tagatose 3-epimerase from Pseudomonas cichorii at 1.79 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.439, 139.335, 92.495 |
| Unit cell angles | 90.00, 104.78, 90.00 |
Refinement procedure
| Resolution | 47.500 - 1.790 |
| R-factor | 0.176 |
| Rwork | 0.176 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ou4 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.053 | 0.250 |
| Number of reflections | 113364 | |
| <I/σ(I)> | 17.3 | 5.7 |
| Completeness [%] | 99.4 | 98.3 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 20% PEG 10000, 0.1M HEPES, 0.1M tri-sodium citrate , pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
