4RF4
Crystal structure of ketoreductase from Lactobacillus kefir
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 | 2013-08-11 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9793 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 107.170, 71.670, 67.580 |
Unit cell angles | 90.00, 106.56, 90.00 |
Refinement procedure
Resolution | 64.777 - 2.201 |
R-factor | 0.2411 |
Rwork | 0.235 |
R-free | 0.29480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nxq |
RMSD bond length | 0.008 |
RMSD bond angle | 0.996 |
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] | 64.777 | 64.800 | 2.260 |
High resolution limit [Å] | 2.200 | 9.840 | 2.200 |
Rmerge | 0.123 | 0.041 | 0.460 |
Number of reflections | 24812 | 302 | 1818 |
<I/σ(I)> | 14.94 | 34.47 | 4.93 |
Completeness [%] | 99.1 | 99.7 | 98.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.2 M magnesium formate, 15% w/v PEG3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |