3DH0
Crystal structure of a SAM dependent methyltransferase from Aquifex aeolicus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-06-08 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.436, 42.902, 84.253 |
Unit cell angles | 90.00, 106.74, 90.00 |
Refinement procedure
Resolution | 40.340 - 2.720 |
R-factor | 0.231 |
Rwork | 0.231 |
R-free | 0.29600 |
Structure solution method | SAD |
Starting model (for MR) | None |
RMSD bond length | 0.009 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.820 |
High resolution limit [Å] | 2.720 | 2.720 |
Rmerge | 0.070 | 0.260 |
Number of reflections | 12492 | |
<I/σ(I)> | 12.7 | 2 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 14.3 | 12.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1M Tris pH 8.5, 2M Ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |