1NNE
Crystal Structure of the MutS-ADPBeF3-DNA complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 103.442, 113.224, 160.284 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 3.100* |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.596 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.150 |
| High resolution limit [Å] | 3.100 | 3.100 * |
| Rmerge | 0.114 * | 0.493 |
| Number of reflections | 31754 | |
| <I/σ(I)> | 2.1 | |
| Completeness [%] | 92.4 | 86.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 20 * | Obmolova, G., (2000) Nature, 407, 703. * |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | 200 mM Ammonium sulfate | ||
| 2 | 1 | 1 | 1 mM DTT | ||
| 3 | 1 | 1 | 18% PEG4000 | ||
| 4 | 1 | 1 | 100 mM cacodylate | ||
| 5 | 1 | 2 | Ammonium sulfate | ||
| 6 | 1 | 2 | DTT | ||
| 7 | 1 | 2 | PEG4000 | ||
| 8 | 1 | 2 | cacodylate |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 0.5-15 (mg/ml) | |
| 2 | 1 | reservoir | cacodylate | 100 (mM) | |
| 3 | 1 | reservoir | ammonium sulfate | 200 (mM) | |
| 4 | 1 | reservoir | dithiothreitol | 1 (mM) | |
| 5 | 1 | reservoir | PEG4000 | 18 (%) |
