4HP3
Crystal structure of Tet3 in complex with a CpG dsDNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-25 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97949 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 69.892, 39.455, 54.134 |
Unit cell angles | 90.00, 99.92, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.050 |
R-factor | 0.217 |
Rwork | 0.215 |
R-free | 0.24340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | unpublished model of complex between same protein construct and a methylated DNA fragment. That structure was solved by a combination of zinc-SAD (SHELXD/E) and molecular replacement in "density" mode (MOLREP) using ideal DNA (COOT) and human MLL2 (currently unpublished) as search models. |
RMSD bond length | 0.013 |
RMSD bond angle | 1.359 |
Data reduction software | XDS |
Data scaling software | SCALA (CCP4_3.3.20) |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0027) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 34.420 | 34.420 | 2.160 |
High resolution limit [Å] | 2.050 | 6.480 | 2.050 |
Rmerge | 0.053 | 0.040 | 0.670 |
Total number of observations | 1052 | 4996 | |
Number of reflections | 9281 | ||
<I/σ(I)> | 12.5727 | ||
Completeness [%] | 99.8 | 99.03 | 99.85 |
Redundancy | 3.71 | 3.35 | 3.71 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 30% PEG-1500, 0.2M sodium chloride, 0.1M HEPES, pH 7.5, vapor diffusion, sitting drop, temperature 291K |