4MOL
Pyranose 2-oxidase H167A mutant with 2-fluorinated galactose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9191 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 100.291, 102.476, 137.423 |
Unit cell angles | 90.00, 91.02, 90.00 |
Refinement procedure
Resolution | 48.010 - 2.000 |
R-factor | 0.18637 |
Rwork | 0.186 |
R-free | 0.22166 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 1.921 |
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] | 48.010 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 184127 | |
<I/σ(I)> | 11.5 | 2.4 |
Completeness [%] | 98.2 | 97.2 |
Redundancy | 6.9 | 7 |
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 |