4XSL
Crystal strcutre of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with glycerol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-28 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.271, 124.552, 93.319 |
| Unit cell angles | 90.00, 98.74, 90.00 |
Refinement procedure
| Resolution | 32.070 - 1.600 |
| R-factor | 0.181 |
| Rwork | 0.178 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qul |
| 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 (1.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.620 |
| High resolution limit [Å] | 1.590 | 4.320 | 1.590 |
| Rmerge | 0.066 | 0.034 | 0.351 |
| Total number of observations | 461925 | ||
| Number of reflections | 150883 | ||
| <I/σ(I)> | 11.8 | ||
| Completeness [%] | 95.4 | 99.1 | 70.9 |
| Redundancy | 3.1 | 3.5 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 6-9% PEG 4000, 0.1M Sodium acetate |
