4YTT
Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with 6-deoxy L-psicose
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 | 2015-01-22 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.400, 126.730, 99.340 |
| Unit cell angles | 90.00, 101.71, 90.00 |
Refinement procedure
| Resolution | 23.420 - 1.800 |
| R-factor | 0.193 |
| Rwork | 0.190 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qul |
| RMSD bond length | 0.005 |
| 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] | 23.420 | 23.420 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
| Rmerge | 0.078 | 0.043 | 0.339 |
| Total number of observations | 379956 | 44058 | 23665 |
| Number of reflections | 113999 | ||
| <I/σ(I)> | 7.9 | 19.8 | 2.4 |
| Completeness [%] | 97.3 | 99.5 | 82.2 |
| Redundancy | 3.31 | 3.69 | 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 |
