7DXO
The mutant of bifunctional thioesterase catalyzing epimerization and cyclization
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-01-06 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.540562 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 67.959, 117.582, 210.397 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 5.220 - 2.400 |
R-factor | 0.2263 |
Rwork | 0.223 |
R-free | 0.28010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7crn |
Data reduction software | CrysalisPro |
Data scaling software | CrysalisPro |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.130 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.126 | 0.234 |
Number of reflections | 33187 | 3325 |
<I/σ(I)> | 25.37 | |
Completeness [%] | 99.1 | |
Redundancy | 11.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 60% v/v Tacsimate, pH 7.0 |