3BTY
Crystal structure of human ABH2 bound to dsDNA containing 1meA through cross-linking away from active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 77.915, 77.915, 226.040 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.350 |
| R-factor | 0.22518 |
| Rwork | 0.223 |
| R-free | 0.25893 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.116 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.052 | 0.675 |
| Number of reflections | 17062 | |
| <I/σ(I)> | 30 | 2.2 |
| Completeness [%] | 95.6 | 100 |
| Redundancy | 14.5 | 13.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 8% PEG 8000, 0.1M sodium chloride, 0.05M magnesium chloride, 0.1M cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 8000 | ||
| 2 | 1 | 1 | sodium chloride | ||
| 3 | 1 | 1 | magnesium chloride | ||
| 4 | 1 | 1 | cacodylate | ||
| 5 | 1 | 2 | PEG 8000 | ||
| 6 | 1 | 2 | sodium chloride | ||
| 7 | 1 | 2 | magnesium chloride | ||
| 8 | 1 | 2 | cacodylate |
