3KTY
Crystal Structure of Probable Methyltransferase from Bordetella pertussis Tohama I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 42.480, 69.514, 174.802 |
| Unit cell angles | 90.00, 95.16, 90.00 |
Refinement procedure
| Resolution | 43.520 - 2.302 |
| R-factor | 0.19 |
| Rwork | 0.187 |
| R-free | 0.24000 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.409 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.520 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 22535 | |
| <I/σ(I)> | 8.7 | 1.7 |
| Completeness [%] | 99.6 | 97.5 |
| Redundancy | 4.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 297 | 0.2 M Lithium sulfate monohydrate, 0.1 M HEPES pH7.5, 25 % w/v Polyehtlyene glycol 3,350, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
