5THQ
Comprehensive Analysis of a Novel Ketoreductase for Pentangular Polyphenol Biosynthesis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-02-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 105.340, 86.540, 106.970 |
Unit cell angles | 90.00, 108.80, 90.00 |
Refinement procedure
Resolution | 86.305 - 2.300 |
R-factor | 0.1699 |
Rwork | 0.169 |
R-free | 0.21660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Apo ARX 21 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.250 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.540 | 2.350 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.122 | 0.663 |
Number of reflections | 79685 | |
<I/σ(I)> | 10.6 | 3.8 |
Completeness [%] | 98.3 | 95.3 |
Redundancy | 6.7 | 6.6 |
CC(1/2) | 0.996 | 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 4,000 |