3BU0
crystal structure of human ABH2 cross-linked to dsDNA with cofactors
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 | 77.591, 77.591, 227.051 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.23305 |
| Rwork | 0.230 |
| R-free | 0.28394 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.192 |
| 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] | 33.200 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.086 | 0.498 |
| Number of reflections | 14823 | |
| <I/σ(I)> | 20.6 | 3.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 8.6 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 298 | 16% PEG 4000, 0.1M sodium chloride, 0.05M magnesium chloride, 0.1M cacodylate, 0.001M MnCl2, 0.002M 2-ketoglutarate, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 4000 | ||
| 10 | 1 | 2 | cacodylate | ||
| 11 | 1 | 2 | MnCl2 | ||
| 12 | 1 | 2 | 2-ketoglutarate | ||
| 2 | 1 | 1 | sodium chloride | ||
| 3 | 1 | 1 | magnesium chloride | ||
| 4 | 1 | 1 | cacodylate | ||
| 5 | 1 | 1 | MnCl2 | ||
| 6 | 1 | 1 | 2-ketoglutarate | ||
| 7 | 1 | 2 | PEG 4000 | ||
| 8 | 1 | 2 | sodium chloride | ||
| 9 | 1 | 2 | magnesium chloride |
