4E2X
X-ray Structure of the Y222F mutant of TcaB9, a C-3'-Methyltransferase, in Complex with S-Adenosyl-L-Homocysteine and dTDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-05-12 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 100.542, 114.174, 37.632 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.000 - 1.400 |
R-factor | 0.20607 |
Rwork | 0.204 |
R-free | 0.23641 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ndj |
RMSD bond length | 0.010 |
RMSD bond angle | 2.267 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.000 | 1.500 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.072 | 0.340 |
Number of reflections | 81798 | |
<I/σ(I)> | 10.3 | 1.83 |
Completeness [%] | 94.7 | 85.2 |
Redundancy | 4.3 | 1.74 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.2-1.6 M sodium/potassium phosphate, 10 mM dTMP, 5 mM S-adenosyl-L-homocysteine, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |