2O8B
human MutSalpha (MSH2/MSH6) bound to ADP and a G T mispair
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-03-08 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.0065, 0.9793, 0.9794, 0.9769 |
| Spacegroup name | P 43 3 2 |
| Unit cell lengths | 258.740, 258.740, 258.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.750 |
| R-factor | 0.245 |
| Rwork | 0.243 |
| R-free | 0.28100 |
| Structure solution method | MAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.461 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.047 | 48.050 | 2.820 |
| High resolution limit [Å] | 2.750 | 12.300 | 2.750 |
| Rmerge | 0.094 | 0.023 | 0.504 |
| Total number of observations | 8516 | 30848 | |
| Number of reflections | 76720 | ||
| <I/σ(I)> | 7.2 | 26.9 | 1.5 |
| Completeness [%] | 99.8 | 97.2 | 97.9 |
| Redundancy | 9.4 | 8.6 | 5.6 |
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 |
