4R94
Structure of the nickase domain of NS1 from MVM complexed with magnesium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-08 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97934 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 57.016, 121.377, 41.581 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.676 - 1.668 |
R-factor | 0.1773 |
Rwork | 0.175 |
R-free | 0.21230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pp4 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.971 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.700 |
High resolution limit [Å] | 1.668 | 1.670 |
Rmerge | 0.036 | 0.453 |
Number of reflections | 34417 | |
<I/σ(I)> | 37.118 | 3.125 |
Completeness [%] | 97.2 | 95.9 |
Redundancy | 4.5 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | 2.8M sodium formate, 100mM sodium acetate trihydrate pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |