6OC5
Lanthanide-dependent methanol dehydrogenase XoxF from Methylobacterium extorquens, in complex with Lanthanum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-10-16 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.320, 87.952, 202.134 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.610 - 2.800 |
R-factor | 0.2509 |
Rwork | 0.249 |
R-free | 0.28020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mae |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.23) |
Phasing software | PHASER |
Refinement software | PHENIX (1.18rc1-3769) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.610 | 48.610 | 2.950 |
High resolution limit [Å] | 2.800 | 8.850 | 2.800 |
Rmerge | 0.096 | 0.047 | 0.512 |
Rmeas | 0.109 | 0.054 | 0.602 |
Rpim | 0.051 | 0.025 | 0.312 |
Total number of observations | 3573 | 11480 | |
Number of reflections | 25837 | 925 | 3340 |
<I/σ(I)> | 9.3 | 17.9 | 2 |
Completeness [%] | 97.7 | 97.9 | 88.2 |
Redundancy | 3.9 | 3.9 | 3.4 |
CC(1/2) | 0.994 | 0.995 | 0.789 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294.15 | 10% Propanol, 0.1M HEPES pH 7.5, 20% PEG 4000 |