4UDP
Crystal structure of 5-hydroxymethylfurfural oxidase (HMFO) in the oxidized state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-01-15 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.964, 120.907, 72.322 |
| Unit cell angles | 90.00, 91.39, 90.00 |
Refinement procedure
| Resolution | 72.300 - 1.900 |
| R-factor | 0.18076 |
| Rwork | 0.178 |
| R-free | 0.23609 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jbv |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.858 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.150 | 0.970 |
| Number of reflections | 67679 | |
| <I/σ(I)> | 9 | 0.85 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.9 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 16-22% W/V PEG3350, 200 MM MAGNESIUM FORMATE |
