3G00
Mth0212 in complex with a 9bp blunt end dsDNA at 1.7 Angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91838 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.966, 79.510, 87.750 |
| Unit cell angles | 90.00, 97.76, 90.00 |
Refinement procedure
| Resolution | 17.000 - 1.740 |
| R-factor | 0.17 |
| Rwork | 0.167 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fzi |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.553 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 17.000 | 17.000 | 1.800 |
| High resolution limit [Å] | 1.740 | 6.000 | 1.740 |
| Rmerge | 0.033 | 0.017 | 0.268 |
| Number of reflections | 65383 | 3124 | 9345 |
| <I/σ(I)> | 38.3 | 3.2 | |
| Completeness [%] | 94.9 | 99.3 | 72 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | reservoir: 30% MPD, 40mM MgCl2, 50mM KH2PO4/K2HPO4 pH 7.0; protein solution: 50mM KCl, 10mM KH2PO4/K2HPO4 pH 7.0, 1mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | KCl | ||
| 2 | 1 | 1 | KH2PO4/K2HPO4 | ||
| 3 | 1 | 1 | MgCl2 | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | MPD | ||
| 6 | 1 | 2 | MgCl2 | ||
| 7 | 1 | 2 | KH2PO4/K2HPO4 | ||
| 8 | 1 | 2 | H2O |
