8C57
CpG specific M.MpeI methyltransferase crystallized in the presence of 5,6-dihydro-5-azacytosine (converted to 5m-dhaC) and 5-methylcytosine containing dsDNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-06-28 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.27820 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 84.453, 84.453, 172.565 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.930 - 1.950 |
R-factor | 0.16317 |
Rwork | 0.162 |
R-free | 0.19202 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dkj |
RMSD bond length | 0.005 |
RMSD bond angle | 1.091 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.070 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmeas | 0.043 | 0.822 |
Number of reflections | 44130 | 7029 |
<I/σ(I)> | 18.27 | 1.8 |
Completeness [%] | 95.0 | 96 |
Redundancy | 3.66 | 3.58 |
CC(1/2) | 0.999 | 0.685 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 294 | 10% PEG 3350, 150 mM NaCl, 50 mM sodium citrate (final pH, 5.6). For cryoprotection glycerol was added to 25% v/v |