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 |