7P7Y
X-ray structure of Lactobacillus kefir alcohol dehydrogenase mutant Q126K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-14 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 55.840, 80.040, 114.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.796 - 1.250 |
| Rwork | 0.101 |
| R-free | 0.11750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7p36 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.778 |
| Data reduction software | XDS (Jan 31, 2020) |
| Data scaling software | XSCALE (Jan 31, 2020) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.320 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmeas | 0.033 | 0.109 |
| Number of reflections | 71194 | 10958 |
| <I/σ(I)> | 49.61 | 14.32 |
| Completeness [%] | 99.2 | 95.3 |
| Redundancy | 11.62 | |
| CC(1/2) | 1.000 | 0.993 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7 | 293 | 50 mM Tris/HCl, 25 mM magnesium chloride, 5 % (w/v) PEG 550, 10 mM HEPES |
