1WTA
Crystal Structure of 5'-Deoxy-5'-methylthioadenosine from Aeropyrum pernix (R32 form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-07-06 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 78.150, 78.150, 230.430 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 58.360 - 1.780 |
| R-factor | 0.16555 |
| Rwork | 0.164 |
| R-free | 0.19550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.230 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.700 | 1.840 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.058 | 0.282 |
| Number of reflections | 26274 | |
| <I/σ(I)> | 9 | 2.6 |
| Completeness [%] | 99.4 | 99 |
| Redundancy | 3.8 | 3.72 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | MPD, glycerol, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
