5MLR
Plantago Major multifunctional oxidoreductase V150M mutant in complex with citral and NADP+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-01-25 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 79.510, 79.510, 137.613 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.200 - 1.460 |
| R-factor | 0.1534 |
| Rwork | 0.153 |
| R-free | 0.16860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v6f |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.510 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.056 | 1.057 |
| Number of reflections | 76281 | |
| <I/σ(I)> | 16.9 | 1.53 |
| Completeness [%] | 98.8 | 88.6 |
| Redundancy | 6.9 | 5.87 |
| CC(1/2) | 0.999 | 0.560 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Bis Tris Propane, 5% glycerol, and 16.5%-19% Peg 5K MME |
