2O8E
human MutSalpha (MSH2/MSH6) bound to a G T mispair, with ADP bound to MSH2 only
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) | 1.005 |
| Spacegroup name | P 43 3 2 |
| Unit cell lengths | 257.510, 257.510, 257.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.300 |
| R-factor | 0.255 |
| Rwork | 0.253 |
| R-free | 0.29100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2o8b |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.367 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC (5.2.005) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 91.044 | 91.040 | 3.390 |
| High resolution limit [Å] | 3.300 | 14.760 | 3.300 |
| Rmerge | 0.096 | 0.036 | 0.461 |
| Total number of observations | 4318 | 24765 | |
| Number of reflections | 43653 | ||
| <I/σ(I)> | 6.6 | 14.9 | 1.6 |
| Completeness [%] | 98.9 | 93.4 | 99.7 |
| Redundancy | 9.1 | 7.8 | 7.7 |
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 |
