6C1T
MBD2 in complex with a partially methylated 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 | C 1 2 1 |
| Unit cell lengths | 71.473, 36.933, 104.076 |
| Unit cell angles | 90.00, 108.25, 90.00 |
Refinement procedure
| Resolution | 49.000 - 1.840 |
| R-factor | 0.2153 |
| Rwork | 0.214 |
| R-free | 0.24680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | currently unpublished model of MBD2-DNA complex |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.758 |
| Data reduction software | XDS |
| 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] | 49.420 | 49.420 | 1.880 |
| High resolution limit [Å] | 1.840 | 9.030 | 1.840 |
| Rmerge | 0.052 | 0.031 | 1.244 |
| Rmeas | 0.063 | 0.037 | 1.501 |
| Rpim | 0.034 | 0.020 | 0.828 |
| Total number of observations | 71924 | 636 | 3705 |
| Number of reflections | 22367 | 217 | 1236 |
| <I/σ(I)> | 9.8 | 27.4 | 0.7 |
| Completeness [%] | 99.0 | 99.5 | 91.3 |
| Redundancy | 3.2 | 2.9 | 3 |
| CC(1/2) | 0.997 | 0.998 | 0.340 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 27% PEG-3350, 0.1 M Bis-Tris, 0.15 M ammonium sulfate |
