5TII
Comprehensive Analysis of a Novel Ketoreductase for Pentangular Polyphenol Biosynthesis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-01-31 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9794 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 105.380, 86.650, 107.320 |
Unit cell angles | 90.00, 108.97, 90.00 |
Refinement procedure
Resolution | 52.671 - 2.600 |
R-factor | 0.1793 |
Rwork | 0.177 |
R-free | 0.23390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vl8 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.819 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.660 | 2.680 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.071 | 0.218 |
Number of reflections | 54103 | |
<I/σ(I)> | 6.6 | 2.9 |
Completeness [%] | 96.1 | 94.9 |
Redundancy | 3.4 | 3.3 |
CC(1/2) | 0.995 | 0.932 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M Sodium Acetate and 30-32% PEG 4000 |