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 |
