2IH2
Crystal structure of the adenine-specific DNA methyltransferase M.TaqI complexed with the cofactor analog AETA and a 10 bp DNA containing 5-methylpyrimidin-2(1H)-one at the target base partner position
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-02-10 |
Detector | ADSC QUANTUM 105 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.439, 68.875, 114.349 |
Unit cell angles | 90.00, 92.27, 90.00 |
Refinement procedure
Resolution | 19.640 - 1.610 |
R-factor | 0.16195 |
Rwork | 0.160 |
R-free | 0.19508 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g38 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.409 |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.660 | 1.650 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.117 | 0.340 |
Number of reflections | 116532 | |
<I/σ(I)> | 11.95 | 3.58 |
Completeness [%] | 95.8 | 58.6 |
Redundancy | 7.2 | 3.92 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 293 | 3 microliters crystallization buffer (10 mM Tris/HCl, 300 mM NaCl, pH 7.3) containing the complex plus 1 microliter reservoir solution (100 mM KCl, 100 mM MgCl2, 6% isopropanol, 50 mM sodium cacodylate, pH 6.0), VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | Tris/HCl | ||
10 | 1 | 2 | isopropanol | ||
11 | 1 | 2 | sodium cacodylate | ||
12 | 1 | 2 | H2O | ||
2 | 1 | 1 | NaCl | ||
3 | 1 | 1 | KCl | ||
4 | 1 | 1 | MgCl2 | ||
5 | 1 | 1 | isopropanol | ||
6 | 1 | 1 | sodium cacodylate | ||
7 | 1 | 1 | H2O | ||
8 | 1 | 2 | KCl | ||
9 | 1 | 2 | MgCl2 |