7OCR
NADPH and fructose-6-phosphate bound to the dehydrogenase domain 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 | 2018-09-28 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 99.886, 157.556, 220.467 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.710 - 2.600 |
R-factor | 0.2311 |
Rwork | 0.230 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ocn |
RMSD bond length | 0.002 |
RMSD bond angle | 1.142 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC (5.8.0266) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.710 | 48.710 | 2.680 |
High resolution limit [Å] | 2.600 | 10.720 | 2.600 |
Rmerge | 0.135 | 0.041 | 2.068 |
Rmeas | 0.140 | 0.043 | 2.144 |
Rpim | 0.037 | 0.012 | 0.564 |
Total number of observations | 10987 | 66087 | |
Number of reflections | 53793 | 860 | 4594 |
<I/σ(I)> | 12.7 | 45.3 | 1.3 |
Completeness [%] | 100.0 | 99.2 | 100 |
Redundancy | 14 | 12.8 | 14.4 |
CC(1/2) | 0.999 | 0.999 | 0.803 |
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 KI with microseeding |