3BTX
X-ray structure of human ABH2 bound to dsDNA through active site cross-linking
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Wavelength(s) | 0.9266 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 78.140, 78.140, 229.590 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.21974 |
| Rwork | 0.219 |
| R-free | 0.22797 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.206 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.035 | 0.398 |
| Number of reflections | 28880 | |
| <I/σ(I)> | 44.5 | 2.7 |
| Completeness [%] | 98.8 | 91.9 |
| Redundancy | 9.7 | 5.7 |
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 |
