7OCU
Mannitol-1-phosphate bound to the phosphatase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD-N374A 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 | 2019-07-27 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9801 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 99.439, 157.433, 219.824 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.490 - 2.700 |
R-factor | 0.2287 |
Rwork | 0.227 |
R-free | 0.26430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ocn |
RMSD bond length | 0.001 |
RMSD bond angle | 1.136 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | REFMAC (5.8.0258) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.490 | 48.490 | 2.790 |
High resolution limit [Å] | 2.700 | 10.460 | 2.700 |
Rmerge | 0.115 | 0.039 | 1.914 |
Rmeas | 0.119 | 0.040 | 1.984 |
Rpim | 0.032 | 0.011 | 0.520 |
Total number of observations | 664860 | 11230 | 66459 |
Number of reflections | 47757 | 906 | 4647 |
<I/σ(I)> | 16.4 | 50.5 | 2.2 |
Completeness [%] | 100.0 | 99.1 | 100 |
Redundancy | 13.9 | 12.4 | 14.3 |
CC(1/2) | 0.999 | 0.999 | 0.831 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1M BIS-Tris propane pH6.5, 0.25M Na2SO4, 18% PEG3350, 0.02M MgCl2, 0.1M potassium acetate with microseeding |