3TQS
Structure of the dimethyladenosine transferase (ksgA) from Coxiella burnetii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-11 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 38.007, 57.895, 112.938 |
| Unit cell angles | 90.00, 90.01, 104.34 |
Refinement procedure
| Resolution | 17.750 - 1.980 |
| R-factor | 0.1866 |
| Rwork | 0.183 |
| R-free | 0.24580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.000 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.010 |
| High resolution limit [Å] | 1.980 | 5.370 | 1.980 |
| Rmerge | 0.030 | 0.023 | 0.066 |
| Number of reflections | 60608 | ||
| <I/σ(I)> | 12.6 | ||
| Completeness [%] | 93.3 | 95.3 | 67.5 |
| Redundancy | 2 | 2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting drop | 7.5 | 293 | 200 mM NaCl, 20% PEG 3350, pH 7.5, sitting drop, temperature 293K |
