4YTU
Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with L-erythrulose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-02-04 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.720, 124.800, 94.720 |
| Unit cell angles | 90.00, 99.09, 90.00 |
Refinement procedure
| Resolution | 20.860 - 2.200 |
| R-factor | 0.227 |
| Rwork | 0.223 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qul |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | d*TREK (9.4SSI) |
| Data scaling software | CrystalClear |
| Phasing software | MOLREP |
| Refinement software | CNS (1.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.860 | 20.860 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.720 | 2.200 |
| Rmerge | 0.099 | 0.049 | 0.423 |
| Total number of observations | 174269 | 19682 | 16752 |
| Number of reflections | 59055 | ||
| <I/σ(I)> | 6.5 | 15.4 | 1.9 |
| Completeness [%] | 96.4 | 98.4 | 96 |
| Redundancy | 2.93 | 3.21 | 2.85 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 6-9 % PEG4000, 0.1 M Sodium acetate |
