4MOI
Pyranose 2-oxidase H450G/V546C double mutant with 3-fluorinated glucose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.946496 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 101.504, 101.504, 238.672 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.880 - 1.900 |
R-factor | 0.197 |
Rwork | 0.196 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 2.030 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.730 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 98867 | |
<I/σ(I)> | 10.8 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.9 | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 298 | 0.1 M MES, 50 mM MgCl2, 10% (w/v) monomethylether PEG 2000, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |