2H7F
Structure of variola topoisomerase covalently bound to DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97917 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 68.523, 138.232, 113.079 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.700 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.23700 |
| Structure solution method | MAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.530 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE (2.03) |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.780 |
| High resolution limit [Å] | 2.700 | 6.180 | 2.700 |
| Rmerge | 0.038 | 0.034 | 0.199 |
| Number of reflections | 14945 | ||
| <I/σ(I)> | 29.4 | ||
| Completeness [%] | 99.5 | 97.7 | 99.8 |
| Redundancy | 4.3 | 4.1 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 294 | 8% PEG 8000, 0.1M Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 294 | 8% PEG 8000, 0.1M Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 294 | 8% PEG 8000, 0.1M Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 8000 | ||
| 2 | 1 | 1 | Tris-HCl | ||
| 3 | 1 | 1 | H2O | ||
| 4 | 1 | 2 | PEG 8000 | ||
| 5 | 1 | 2 | Tris-HCl | ||
| 6 | 1 | 2 | H2O |
