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 |
