6CEU
MBD3 MBD in complex with methylated, non-palindromic CpG DNA: alternative interpretation of crystallographic data
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97911 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 72.174, 36.223, 131.157 |
| Unit cell angles | 90.00, 92.85, 90.00 |
Refinement procedure
| Resolution | 35.202 - 2.005 |
| R-factor | 0.2167 |
| Rwork | 0.214 |
| R-free | 0.25170 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | early version of model from PDB entry 6CC8 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.101 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.690 | 43.690 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.069 | 0.033 | 0.826 |
| Rmeas | 0.081 | 0.039 | 0.974 |
| Rpim | 0.043 | 0.021 | 0.511 |
| Total number of observations | 84001 | 916 | 5817 |
| Number of reflections | 23289 | ||
| <I/σ(I)> | 11.1 | 27.3 | 1.5 |
| Completeness [%] | 99.6 | 96.2 | 98.7 |
| Redundancy | 3.6 | 3.2 | 3.5 |
| CC(1/2) | 0.996 | 0.997 | 0.572 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 25% PEG3350, 0.2M sodium chloride, 0.1M bis-tris |
