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 |