2O8D
human MutSalpha (MSH2/MSH6) bound to ADP and a G dU mispair
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 43 3 2 |
| Unit cell lengths | 260.379, 260.379, 260.379 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.000 |
| R-factor | 0.241 |
| Rwork | 0.239 |
| R-free | 0.27800 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.342 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.2.005) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.250 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.093 | 0.584 |
| Number of reflections | 60518 | |
| <I/σ(I)> | 12.22 | 3.2 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 290 | 11% PEG 8000, 10 mM magnesium sulfate, 100 mM bis-tris-propane, pH 7, VAPOR DIFFUSION, temperature 290K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 8000 | ||
| 2 | 1 | 1 | magnesium sulfate | ||
| 3 | 1 | 1 | bis-tris-propane | ||
| 4 | 1 | 1 | HOH | ||
| 5 | 1 | 2 | PEG 8000 | ||
| 6 | 1 | 2 | magnesium sulfate | ||
| 7 | 1 | 2 | bis-tris-propane | ||
| 8 | 1 | 2 | HOH |
