3K4J
Pyranose 2-oxidase H450Q 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 | 2008-10-26 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0379 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 101.910, 101.910, 120.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.200 - 2.000 |
| R-factor | 0.15842 |
| Rwork | 0.156 |
| R-free | 0.19956 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2igo |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.861 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 43397 | |
| <I/σ(I)> | 17.3 | 5.2 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 14.5 | 14.5 |
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 |
