7OCS
Mannitol-1-phosphate bound to the phosphatase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD-D16A from Acinetobacter baumannii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-27 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9788 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 88.888, 212.626, 98.819 |
Unit cell angles | 90.00, 112.81, 90.00 |
Refinement procedure
Resolution | 48.610 - 2.300 |
R-factor | 0.2167 |
Rwork | 0.215 |
R-free | 0.24740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ocn |
RMSD bond length | 0.008 |
RMSD bond angle | 0.590 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | BUSTER |
Refinement software | BUSTER |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.610 | 48.610 | 2.340 |
High resolution limit [Å] | 2.300 | 12.600 | 2.300 |
Rmerge | 0.220 | 0.053 | 1.829 |
Rmeas | 0.237 | 0.058 | 1.972 |
Rpim | 0.088 | 0.022 | 0.733 |
Total number of observations | 1060197 | 6035 | 52519 |
Number of reflections | 149396 | 923 | 7391 |
<I/σ(I)> | 5.3 | 14.6 | 0.9 |
Completeness [%] | 100.0 | 98.5 | 100 |
Redundancy | 7.1 | 6.5 | 7.1 |
CC(1/2) | 0.993 | 0.998 | 0.618 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | .1M BIS-Tris propane pH6.5, 0.15M Na2SO4, 14% PEG3350, 0.02M MgCl2, 0.1M Potassium acetate with microseeding |