3K0S
Crystal structure of E.coli DNA mismatch repair protein MutS, D693N mutant, in complex with GT mismatched DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9775 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.604, 90.791, 261.191 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.129 - 2.200 |
| R-factor | 0.1878 |
| Rwork | 0.185 |
| R-free | 0.24640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e3m |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.089 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.1) |
| Phasing software | AMoRE |
| Refinement software | PHENIX (1.4_161) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 89.440 | 89.440 | 2.320 |
| High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
| Rmerge | 0.086 | 0.038 | 0.440 |
| Number of reflections | 104793 | ||
| <I/σ(I)> | 11 | 14.1 | 1.2 |
| Completeness [%] | 96.4 | 96.8 | 95.6 |
| Redundancy | 4.4 | 4.3 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 11% PEG 6000, 750mM NaCl, 25mM Hepes, 10mM MgCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 6000 | ||
| 2 | 1 | 1 | NaCl | ||
| 3 | 1 | 1 | Hepes | ||
| 4 | 1 | 1 | MgCl2 | ||
| 5 | 1 | 2 | PEG 6000 | ||
| 6 | 1 | 2 | NaCl | ||
| 7 | 1 | 2 | Hepes | ||
| 8 | 1 | 2 | MgCl2 |
