3K4C
Pyranose 2-oxidase H167A/T169G mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-2 |
Synchrotron site | MAX II |
Beamline | I911-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-06 |
Detector | MARRESEARCH |
Wavelength(s) | 1.03790 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 100.206, 102.964, 137.122 |
Unit cell angles | 90.00, 90.82, 90.00 |
Refinement procedure
Resolution | 29.300 - 1.700 |
R-factor | 0.18056 |
Rwork | 0.180 |
R-free | 0.21631 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1tt0 |
RMSD bond length | 0.024 |
RMSD bond angle | 2.071 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC (5.5) |
Refinement software | REFMAC (5.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 295544 | |
<I/σ(I)> | 12.3 | 1.8 |
Completeness [%] | 96.8 | 98.3 |
Redundancy | 3 | 2.9 |
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 |