4PCA
X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAH and Manganese
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-12 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.210, 102.760, 103.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.584 - 1.500 |
R-factor | 0.1482 |
Rwork | 0.147 |
R-free | 0.17210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4oa5 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.586 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | PHENIX ((phenix.refine: 1.9pre_1665)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.540 | |
High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
Rmerge | 0.073 | 0.038 | 0.573 |
Rmeas | 0.080 | 0.042 | 0.626 |
Total number of observations | 892627 | ||
Number of reflections | 144437 | 1664 | 10523 |
<I/σ(I)> | 16.27 | 40.08 | 3.14 |
Completeness [%] | 99.5 | 92.1 | 99.1 |
Redundancy | 6.18 | 6.18 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 400 nl of protein solution plus 400 nl of precipitant. Precipitant was MCSG2 well H5 - 0.1 M succinic acid pH 7.0, 15% PEG3350 |