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 |