4OA5
X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAH solved by iodide SAD phasing
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-05-16 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 192.360, 72.270, 130.840 |
Unit cell angles | 90.00, 124.94, 90.00 |
Refinement procedure
Resolution | 47.828 - 2.300 |
R-factor | 0.19641 |
Rwork | 0.195 |
R-free | 0.23101 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.458 |
Data scaling software | XSCALE |
Phasing software | RESOLVE |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.750 | 2.360 |
High resolution limit [Å] | 2.300 | 2.660 | 2.300 |
Rmerge | 0.072 | 0.129 | 0.301 |
Number of reflections | 127137 | ||
<I/σ(I)> | 16.88 | 11.63 | 5.6 |
Completeness [%] | 98.8 | 99.6 | 97.7 |
Redundancy | 3.72 | 3.79 | 3.56 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.4 uL protein @ 13.8 mg/ml + 0.4 uL Wizard 3/4 well G6 - 0.2 M sodium malonate dibasic 0.1 M BIS-TRIS propane pH 8.50, 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 289K |