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 |
