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 |