3TR6
Structure of a O-methyltransferase from Coxiella burnetii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-06 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 83.686, 83.686, 212.910 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.845 - 2.700 |
| R-factor | 0.2037 |
| Rwork | 0.202 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.814 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 7.300 | 2.700 |
| Rmerge | 0.074 | 0.040 | 0.270 |
| Number of reflections | 12763 | ||
| <I/σ(I)> | 11 | ||
| Completeness [%] | 98.1 | 99.9 | 91.1 |
| Redundancy | 13.2 | 15.7 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting drop | 8.5 | 295 | 0.1M Tris pH 8.5, 0.01M Nickel (II) chloride, 20% PEG MME 2000, sitting drop, temperature 295K |
