4YTR
Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with 1-deoxy L-tagatose
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 | 2012-10-23 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.380, 126.330, 92.920 |
| Unit cell angles | 90.00, 98.70, 90.00 |
Refinement procedure
| Resolution | 21.710 - 1.900 |
| R-factor | 0.193 |
| Rwork | 0.188 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qul |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | d*TREK (8.0SSI) |
| Data scaling software | CrystalClear |
| Phasing software | MOLREP |
| Refinement software | CNS (1.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 22.140 | 22.140 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.085 | 0.039 | 0.299 |
| Total number of observations | 271251 | 28396 | 19640 |
| Number of reflections | 92108 | ||
| <I/σ(I)> | 8.7 | 20.8 | 3.4 |
| Completeness [%] | 98.2 | 98.2 | 85.2 |
| Redundancy | 2.92 | 3 | 2.45 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 6-9 % PEG4000, 0.1 M Sodium acetate |
