6C1V
MBD2 in complex with double-stranded DNA
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) | 0.97949 |
| Spacegroup name | P 1 |
| Unit cell lengths | 37.013, 40.198, 105.158 |
| Unit cell angles | 84.50, 85.48, 62.71 |
Refinement procedure
| Resolution | 34.800 - 2.300 |
| R-factor | 0.234 |
| Rwork | 0.233 |
| R-free | 0.26770 |
| 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| Starting model (for MR) | rigid body refinement (refmac5/dimple) of a currently unpublished isomorphous structure of a similar MBD2-DNA complex against current data.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 | 0.015 |
| RMSD bond angle | 1.786 |
| 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] | 35.640 | 35.640 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.930 | 2.000 |
| Rmerge | 0.040 | 0.024 | 0.760 |
| Rmeas | 0.054 | 0.031 | 1.032 |
| Rpim | 0.037 | 0.021 | 0.694 |
| Total number of observations | 66586 | 769 | 3666 |
| Number of reflections | 34483 | 396 | 2199 |
| <I/σ(I)> | 10 | 31.3 | 0.9 |
| Completeness [%] | 94.8 | 96.6 | 81.4 |
| Redundancy | 1.9 | 1.9 | 1.7 |
| CC(1/2) | 0.998 | 0.998 | 0.465 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 25% PEG-3350, 0.1 M Bis-Tris |
