4RF5
Crystal structure of ketoreductase from Lactobacillus kefir, E145S mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-02-28 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9789 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 66.140, 110.340, 69.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 69.560 - 1.596 |
R-factor | 0.1654 |
Rwork | 0.163 |
R-free | 0.18290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nxq |
RMSD bond length | 0.006 |
RMSD bond angle | 1.015 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.5) |
Refinement software | PHENIX (dev_1555) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 69.560 | 69.560 | 1.640 |
High resolution limit [Å] | 1.596 | 7.140 | 1.596 |
Rmerge | 0.083 | 0.045 | 0.519 |
Number of reflections | 68089 | 878 | 4698 |
<I/σ(I)> | 21.91 | 44.58 | 5.28 |
Completeness [%] | 99.6 | 100 | 94.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 0.2 M magnesium chloride, 0.1 M Bis-Tris, pH 5.5, 13% w/v PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K |