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 |