2O8C
human MutSalpha (MSH2/MSH6) bound to ADP and an O6-methyl-guanine T 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) | 1.0 |
| Spacegroup name | P 43 3 2 |
| Unit cell lengths | 259.810, 259.810, 259.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.370 |
| R-factor | 0.258 |
| Rwork | 0.256 |
| R-free | 0.29000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2o8b |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.130 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC (5.2.0005) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 183.713 | 48.250 | 3.550 |
| High resolution limit [Å] | 3.370 | 10.660 | 3.370 |
| Rmerge | 0.201 | 0.012 | 0.012 |
| Total number of observations | 14308 | 64679 | |
| Number of reflections | 42392 | ||
| <I/σ(I)> | 3.5 | 13.6 | 0.6 |
| Completeness [%] | 99.3 | 96.4 | 98.7 |
| Redundancy | 10.9 | 9.7 | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 290 | 11% PEG 8000, 10mM 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 |
