3PL8
Pyranose 2-oxidase H167A complex with 3-deoxy-3-fluoro-beta-D-glucose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-06 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 101.550, 101.550, 127.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.070 - 1.350 |
R-factor | 0.158 |
Rwork | 0.157 |
R-free | 0.19000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2igo |
RMSD bond length | 0.022 |
RMSD bond angle | 1.990 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.400 |
High resolution limit [Å] | 1.350 | 1.350 |
Number of reflections | 142745 | |
<I/σ(I)> | 11.5 | 1.9 |
Completeness [%] | 98.2 | 92.8 |
Redundancy | 9.2 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 298 | 0.1M MES, 50MM MGCL2, 10% (W/V)% MONOMETHYLETHER PEG 2000, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |