3NO0
Aquifex aeolicus type IIA topoisomerase C-terminal domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.1 |
Spacegroup name | P 1 |
Unit cell lengths | 43.513, 49.624, 120.350 |
Unit cell angles | 91.57, 99.75, 113.48 |
Refinement procedure
Resolution | 40.851 - 1.300 |
R-factor | 0.1734 |
Rwork | 0.172 |
R-free | 0.18940 |
Structure solution method | MIRAS |
RMSD bond length | 0.014 |
RMSD bond angle | 1.501 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | SOLVE |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.851 | 1.315 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.031 | 0.357 |
Number of reflections | 208073 | |
<I/σ(I)> | 28.2 | 2.4 |
Completeness [%] | 93.6 | 84.8 |
Redundancy | 3.4 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 50 mM NaCL, 10mM Tris-HCl pH 7.5, 225 mM NH4NO3, 20% PEG 3500, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 50 mM NaCL, 10mM Tris-HCl pH 7.5, 225 mM NH4NO3, 20% PEG 3500, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 50 mM NaCL, 10mM Tris-HCl pH 7.5, 225 mM NH4NO3, 20% PEG 3500, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 50 mM NaCL, 10mM Tris-HCl pH 7.5, 225 mM NH4NO3, 20% PEG 3500, VAPOR DIFFUSION, HANGING DROP, temperature 291K |