3C2I
The Crystal Structure of Methyl-CpG Binding Domain of Human MeCP2 in Complex with a Methylated DNA Sequence from BDNF
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97800 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 79.710, 53.600, 65.730 |
| Unit cell angles | 90.00, 132.10, 90.00 |
Refinement procedure
| Resolution | 23.480 - 2.500 |
| R-factor | 0.215 |
| Rwork | 0.212 |
| R-free | 0.27600 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.848 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE (2.11) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.795 | 25.660 | 2.640 |
| High resolution limit [Å] | 2.500 | 7.910 | 2.500 |
| Rmerge | 0.075 | 0.056 | 0.377 |
| Total number of observations | 1567 | 5055 | |
| Number of reflections | 7122 | ||
| <I/σ(I)> | 3.1 | 9.6 | 2 |
| Completeness [%] | 98.5 | 96.4 | 90.7 |
| Redundancy | 7.1 | 6.7 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 26% PEG2000, 0.2M Ammonium acetate, 0.01M Mg acetate, 0.05M Na cacodylate pH6.5, 0.002M DTT, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG2000 | ||
| 10 | 1 | 2 | HOH | ||
| 2 | 1 | 1 | Ammonium acetate | ||
| 3 | 1 | 1 | Mg acetate | ||
| 4 | 1 | 1 | Na cacodylate | ||
| 5 | 1 | 1 | HOH | ||
| 6 | 1 | 2 | PEG2000 | ||
| 7 | 1 | 2 | Ammonium acetate | ||
| 8 | 1 | 2 | Mg acetate | ||
| 9 | 1 | 2 | Na cacodylate |
