3LGS
A. thaliana MTA nucleosidase in complex with S-adenosylhomocysteine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.542 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.850, 126.410, 83.810 |
Unit cell angles | 90.00, 101.73, 90.00 |
Refinement procedure
Resolution | 23.120 - 2.200 |
R-factor | 0.21 |
Rwork | 0.210 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.339 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.9.7L) |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 23.120 | 23.120 | 2.280 |
High resolution limit [Å] | 2.200 | 4.730 | 2.200 |
Rmerge | 0.084 | 0.058 | 0.338 |
Total number of observations | 18706 | 17495 | |
Number of reflections | 46037 | ||
<I/σ(I)> | 7.4 | 13.6 | 3 |
Completeness [%] | 97.2 | 99.1 | 95.2 |
Redundancy | 3.78 | 3.79 | 3.66 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 298 | 0.2 M NH4Cl, 18 % (w/v) PEG 3350, 15 % (v/v) Ethylene glycol, pH 7.5, vapor diffusion, temperature 298K |