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 |