2QUM
Crystal structure of D-tagatose 3-epimerase from Pseudomonas cichorii with D-tagatose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-01-28 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.978 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.414, 139.432, 92.860 |
Unit cell angles | 90.00, 104.04, 90.00 |
Refinement procedure
Resolution | 41.310 - 2.280 |
R-factor | 0.185 |
Rwork | 0.185 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ou4 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
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 | 2.360 |
High resolution limit [Å] | 2.280 | 2.280 |
Rmerge | 0.099 | 0.290 |
Number of reflections | 55980 | |
<I/σ(I)> | 7.4 | 4.3 |
Completeness [%] | 99.4 | 98.5 |
Redundancy | 3.6 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 20% PEG 10000, 0.1M HEPES, 0.1M tri-sodium citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |