4E30
X-ray Structure of the H181N/E224Q double 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 | 2011-06-27 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 100.660, 114.286, 37.857 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.000 - 1.500 |
R-factor | 0.18679 |
Rwork | 0.185 |
R-free | 0.21765 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ndj |
RMSD bond length | 0.010 |
RMSD bond angle | 2.271 |
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 | 1.600 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.071 | 0.359 |
Number of reflections | 69471 | |
<I/σ(I)> | 10.3 | 2.8 |
Completeness [%] | 97.8 | 95.3 |
Redundancy | 5.7 | 3.03 |
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 |