3G4T
Mth0212 (WT) in complex with a 7bp dsDNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-07 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.00605 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 100.764, 79.600, 99.409 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.570 - 2.640 |
| R-factor | 0.24319 |
| Rwork | 0.240 |
| R-free | 0.29684 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fzi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.335 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.730 |
| High resolution limit [Å] | 2.640 | 2.640 |
| Number of reflections | 23676 | |
| <I/σ(I)> | 36.2 | 2.5 |
| Completeness [%] | 97.9 | 83.1 |
| Redundancy | 7.6 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | reservoir: 40mM MgAc/50mM sodium cacodylate pH 6.0/30% (v/v) MPD; complex 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 | MgAc | ||
| 6 | 1 | 2 | sodium cacodylate | ||
| 7 | 1 | 2 | MPD | ||
| 8 | 1 | 2 | H2O |
