7OCN
Crystal structure of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD 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 | 2018-06-29 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 99.496, 157.418, 219.802 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.520 - 2.600 |
R-factor | 0.2384 |
Rwork | 0.237 |
R-free | 0.26740 |
Structure solution method | SAD |
RMSD bond length | 0.001 |
RMSD bond angle | 1.138 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | CRANK2 |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.520 | 48.520 | 2.680 |
High resolution limit [Å] | 2.600 | 10.720 | 2.600 |
Rmerge | 0.100 | 0.041 | 1.936 |
Rmeas | 0.103 | 0.043 | 2.007 |
Rpim | 0.028 | 0.012 | 0.528 |
Total number of observations | 741229 | 10726 | 65045 |
Number of reflections | 53387 | 852 | 4587 |
<I/σ(I)> | 15.6 | 46.1 | 1.9 |
Completeness [%] | 100.0 | 99.1 | 100 |
Redundancy | 13.9 | 12.6 | 14.2 |
CC(1/2) | 0.999 | 0.999 | 0.799 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1M BIS-Tris propane pH6.5, 0.2M Na2SO4, 16% PEG3350, 0.02M MgCl2, 0.2M NaBr with microseeding |