3G2D
Complex of Mth0212 and a 4 bp dsDNA with 3'-overhang
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-27 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.81500 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.603, 81.301, 97.091 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.550 - 2.300 |
| R-factor | 0.21747 |
| Rwork | 0.214 |
| R-free | 0.27938 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fzi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.418 |
| 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 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 29120 | |
| <I/σ(I)> | 18 | 4.2 |
| Completeness [%] | 93.8 | 76.3 |
| Redundancy | 2.9 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 293 | reservoir: 5% (w/v) PEG 4000, 50mM KCl, 50mM MES pH 5.8, 10mM MgCl2 ; complex solution: 240mM NaCl, 8mM HEPES-KOH pH 7.6, 4mM DTT, 2mM MgCl2, 1mM KH2PO4/K2HPO4 pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | NaCl | ||
| 10 | 1 | 2 | MgCl2 | ||
| 11 | 1 | 2 | H2O | ||
| 2 | 1 | 1 | HEPES-KOH | ||
| 3 | 1 | 1 | DTT | ||
| 4 | 1 | 1 | MgCl2 | ||
| 5 | 1 | 1 | KH2PO4/K2HPO4 | ||
| 6 | 1 | 1 | H2O | ||
| 7 | 1 | 2 | PEG 4000 | ||
| 8 | 1 | 2 | KCl | ||
| 9 | 1 | 2 | MES |
