6C1U
MBD2 in complex with a deoxy-oligonucleotide
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 | PIXEL |
| Collection date | 2017-09-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.912, 40.015, 105.890 |
| Unit cell angles | 84.48, 85.91, 62.77 |
Refinement procedure
| Resolution | 35.100 - 2.300 |
| R-factor | 0.2331 |
| Rwork | 0.232 |
| R-free | 0.27170 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | rigid body refinement (refmac5/dimple) of a currently unpublished isomorphous structure of a similar MBD2-DNA complex against current data. |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.793 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.490 | 35.490 | 2.050 |
| High resolution limit [Å] | 1.990 | 8.920 | 1.990 |
| Rmerge | 0.036 | 0.023 | 0.578 |
| Rmeas | 0.049 | 0.031 | 0.786 |
| Rpim | 0.033 | 0.020 | 0.530 |
| Total number of observations | 64867 | 765 | 2842 |
| Number of reflections | 33843 | 388 | 1691 |
| <I/σ(I)> | 11.3 | 31.9 | 1.1 |
| Completeness [%] | 92.6 | 93.9 | 63 |
| Redundancy | 1.9 | 2 | 1.7 |
| CC(1/2) | 0.998 | 0.997 | 0.588 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG-3350, 0.2 M potassium dihydrogen phosphate |
