6CCG
Crystal structure MBD3 MBD domain in complex with methylated CpG DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97911 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 72.270, 36.460, 130.840 |
| Unit cell angles | 90.00, 92.42, 90.00 |
Refinement procedure
| Resolution | 35.100 - 1.900 |
| R-factor | 0.2247 |
| Rwork | 0.223 |
| R-free | 0.25010 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.543 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.180 | 35.180 | 1.940 |
| High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
| Rmerge | 0.068 | 0.029 | 1.098 |
| Rmeas | 0.074 | 0.033 | 1.285 |
| Rpim | 0.029 | 0.014 | 0.662 |
| Total number of observations | 155271 | 1551 | 6491 |
| Number of reflections | 27299 | ||
| <I/σ(I)> | 16.7 | 54.1 | 1.2 |
| Completeness [%] | 99.9 | 97.5 | 99.8 |
| Redundancy | 5.7 | 5.7 | 3.7 |
| CC(1/2) | 0.999 | 0.999 | 0.615 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 15% PEG 8000,0.2M magnesium chloride, 0.1M Tris |
