6F97
Crystal structure of the V465T mutant of 5-(Hydroxymethyl)furfural Oxidase (HMFO)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-15 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.988 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.189, 122.004, 72.698 |
| Unit cell angles | 90.00, 91.63, 90.00 |
Refinement procedure
| Resolution | 72.670 - 1.900 |
| R-factor | 0.17442 |
| Rwork | 0.172 |
| R-free | 0.23110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4udp |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.810 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.670 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.053 | 1.079 |
| Number of reflections | 69743 | 4440 |
| <I/σ(I)> | 9.3 | 0.8 |
| Completeness [%] | 98.4 | 99.6 |
| Redundancy | 3 | 3 |
| CC(1/2) | 0.998 | 0.507 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 293 | 20% w/v PEG3350 and 200 mM magnesium formate |
