4LG7
Crystal structure MBD4 MBD domain in complex with methylated CpG DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-01-15 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 49.367, 78.209, 40.557 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.000 - 2.500 |
R-factor | 0.2142 |
Rwork | 0.212 |
R-free | 0.25940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vxx |
RMSD bond length | 0.009 |
RMSD bond angle | 1.350 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER |
Refinement software | BUSTER-TNT (BUSTER 2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.746 | 36.004 | 2.640 |
High resolution limit [Å] | 2.450 | 7.910 | 2.500 |
Rmerge | 0.029 | 0.921 | |
Total number of observations | 1176 | 5700 | |
Number of reflections | 5780 | ||
<I/σ(I)> | 14 | 18.3 | 0.9 |
Completeness [%] | 99.4 | 99 | 98.8 |
Redundancy | 6.8 | 5.3 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 30% PEG400, 5% MPD, 0.2 M sodium chloride, 0.1 M HEPES. protein:dna 1:1.2., pH 7.5, vapor diffusion, sitting drop, temperature 291K |