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 |
