3K4M
Pyranose 2-oxidase Y456W mutant in complex with 2FG
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 | 2008-10-25 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0379 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 168.190, 103.140, 168.710 |
Unit cell angles | 90.00, 106.47, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.200 |
R-factor | 0.20767 |
Rwork | 0.207 |
R-free | 0.26553 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2igo |
RMSD bond length | 0.022 |
RMSD bond angle | 2.065 |
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 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 273077 | |
<I/σ(I)> | 7.6 | 1.5 |
Completeness [%] | 97.2 | 94.6 |
Redundancy | 2.7 | 2.4 |
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 |