3G0R
Complex of Mth0212 and an 8bp dsDNA with distorted ends
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97623 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.751, 80.760, 105.211 |
| Unit cell angles | 90.00, 94.03, 90.00 |
Refinement procedure
| Resolution | 44.640 - 2.400 |
| R-factor | 0.1811 |
| Rwork | 0.178 |
| R-free | 0.24286 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fzi |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.586 |
| 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 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 27308 | |
| <I/σ(I)> | 22.7 | 5.2 |
| Completeness [%] | 92.8 | 72.3 |
| Redundancy | 4.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | reservoir: 189mM KCl, 9.5mM MgCl2, 4.7% (w/v) PEG 8000, 47mM MES/NaOH pH 5.6, 2.1% 1,4-butanediol, 2mM DTT; protein solution: 234mM NaCl, 7mM KHEPES pH 7.6, 1.83mM MgCl2, 2.7mM 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 | 1,4-butanediol | ||
| 11 | 1 | 2 | DTT | ||
| 12 | 1 | 2 | H2O | ||
| 2 | 1 | 1 | KHEPES | ||
| 3 | 1 | 1 | MgCl2 | ||
| 4 | 1 | 1 | DTT | ||
| 5 | 1 | 1 | H2O | ||
| 6 | 1 | 2 | KCL | ||
| 7 | 1 | 2 | MgCl2 | ||
| 8 | 1 | 2 | PEG 8000 | ||
| 9 | 1 | 2 | MES/NaOH |
