6C1Y
mbd of human mecp2 in complex with methylated DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-25 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97945 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.753, 47.359, 54.623 |
| Unit cell angles | 68.15, 89.83, 65.98 |
Refinement procedure
| Resolution | 39.850 - 2.300 |
| R-factor | 0.2334 |
| Rwork | 0.231 |
| R-free | 0.28570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Protein coordinates from PDB entry 3c2i. DNA coordinates from a currently unpublished model. |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.669 |
| Data reduction software | HKL-3000 |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.850 | 39.850 | 2.380 |
| High resolution limit [Å] | 2.300 | 8.910 | 2.300 |
| Rmerge | 0.068 | 0.047 | 0.449 |
| Rmeas | 0.091 | 0.065 | 0.601 |
| Rpim | 0.060 | 0.044 | 0.397 |
| Total number of observations | 31664 | 548 | 2617 |
| Number of reflections | 14585 | 255 | 1262 |
| <I/σ(I)> | 10.1 | 30.5 | 2.4 |
| Completeness [%] | 96.3 | 96.2 | 84.2 |
| Redundancy | 2.2 | 2.1 | 2.1 |
| CC(1/2) | 0.992 | 0.983 | 0.718 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 291 | 25% PEG3350, 0.1 M ammonium sulfate, 0.1 M tris |
