7RK4
Mannitol-2-dehydrogenase from Aspergillus fumigatus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-06-24 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.954 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 219.483, 75.036, 69.648 |
Unit cell angles | 90.00, 106.26, 90.00 |
Refinement procedure
Resolution | 45.418 - 1.800 |
R-factor | 0.1667 |
Rwork | 0.165 |
R-free | 0.20460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | ILJ8 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.16-3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.430 | 46.430 | 1.730 |
High resolution limit [Å] | 1.700 | 9.310 | 1.700 |
Rmerge | 0.092 | 0.024 | 2.159 |
Rmeas | 0.100 | 0.026 | 2.329 |
Rpim | 0.037 | 0.010 | 0.865 |
Total number of observations | 831426 | 5453 | 39800 |
Number of reflections | 117244 | 770 | 5651 |
<I/σ(I)> | 12.4 | 54.2 | 1 |
Completeness [%] | 98.4 | 98.9 | 96.2 |
Redundancy | 7.1 | 7.1 | 7 |
CC(1/2) | 0.999 | 0.998 | 0.440 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 25% PEG 3350, 0.15 M Tris pH 8.5, 0.2 M NaCl |