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 |
