3IGC
Smallpox virus topoisomerase-DNA transition state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Detector technology | CCD |
| Collection date | 2007-07-07 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 103.999, 103.999, 93.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.18 |
| Rwork | 0.177 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2H7G EXCLUDING DNA DOWNSTREAM OF CLEAVAGE SITE AND AMINO ACID RESIDUES 240-314 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.740 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.150 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.072 | 0.523 |
| Number of reflections | 27692 | |
| <I/σ(I)> | 21.5 | 3.3 |
| Completeness [%] | 96.3 | 98.5 |
| Redundancy | 8.9 | 8.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 294 | pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 294.0K |
