3S5A
ABH2 cross-linked to undamaged dsDNA-2 with cofactors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.968, 60.610, 65.588 |
| Unit cell angles | 90.00, 90.52, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.19922 |
| Rwork | 0.197 |
| R-free | 0.23796 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.487 |
| 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 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.040 | 0.666 |
| Number of reflections | 52281 | |
| <I/σ(I)> | 30 | 2 |
| Completeness [%] | 99.7 | 99.5 |
| Redundancy | 7.3 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 277 | 12% PEG 8000, 100mM sodium chloride, 50mM Magnesium chloride, 100mM cacodylate, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
