3GA6
Mth0212 in complex with two DNA helices
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 | 2006-11-18 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.91800 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.834, 126.655, 54.826 |
| Unit cell angles | 90.00, 93.14, 90.00 |
Refinement procedure
| Resolution | 33.709 - 1.898 |
| R-factor | 0.158 |
| Rwork | 0.155 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fzi |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.359 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.898 | 1.898 |
| Number of reflections | 56272 | |
| <I/σ(I)> | 22.2 | 1.8 |
| Completeness [%] | 95.8 | 72.2 |
| Redundancy | 6.7 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | reservoir solution: 5% (w/v) PEG 8000, 200mM KCl, 10 mM MgCl2, 50mM MES pH 5.6, 2mM DTT; complex solution: 245mM NaCl, 8mM HEPES-KOH pH 7.6, 2mM MgCl2, 3mM DTT , VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | NaCl | ||
| 10 | 1 | 2 | DTT | ||
| 11 | 1 | 2 | H2O | ||
| 2 | 1 | 1 | HEPES-KOH | ||
| 3 | 1 | 1 | MgCl2 | ||
| 4 | 1 | 1 | DTT | ||
| 5 | 1 | 1 | H2O | ||
| 6 | 1 | 2 | PEG 8000 | ||
| 7 | 1 | 2 | KCl | ||
| 8 | 1 | 2 | MgCl2 | ||
| 9 | 1 | 2 | MES |
