2YQZ
Crystal Structure of Hypothetical Methyltransferase TTHA0223 from Thermus thermophilus HB8 complexed with S-adenosylmethionine
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44B2 |
Synchrotron site | SPring-8 |
Beamline | BL44B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-11 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9791, 0.9794, 1.0000 |
Spacegroup name | P 1 |
Unit cell lengths | 36.899, 45.064, 84.151 |
Unit cell angles | 87.03, 78.96, 83.49 |
Refinement procedure
Resolution | 29.630 - 1.800 |
R-factor | 0.202 |
Rwork | 0.202 |
R-free | 0.23500 |
Structure solution method | MAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.610 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | Rantan |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.022 | 0.098 |
Number of reflections | 47547 | |
<I/σ(I)> | 23.2 | 6.8 |
Completeness [%] | 97.3 | 96 |
Redundancy | 2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | Trimethylamine n-oxide, Polyethylene glycol MME 2000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |