3FQ6
The crystal structure of a methyltransferase domain from Bacteroides thetaiotaomicron VPI
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97926, 0.97937 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.321, 70.919, 86.908 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.500 - 2.360 |
R-factor | 0.21694 |
Rwork | 0.214 |
R-free | 0.28571 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.716 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | SHELXD |
Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.390 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.088 | 0.528 |
Number of reflections | 11310 | |
<I/σ(I)> | 30.7 | 2.68 |
Completeness [%] | 95.8 | 80.9 |
Redundancy | 5.6 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.2M Ammonium Sulfate, 0.1M Bis-Tris, 25% w/v PEG3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |