5QZY
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 49
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.827 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 87.484, 85.000, 92.834 |
Unit cell angles | 90.00, 110.49, 90.00 |
Refinement procedure
Resolution | 43.980 - 1.660 |
R-factor | 0.2406 |
Rwork | 0.239 |
R-free | 0.24057 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.476 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC (5.8.0238) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.980 | 50.000 | 1.760 |
High resolution limit [Å] | 1.660 | 4.940 | 1.660 |
Rmerge | 0.057 | 0.035 | 2.276 |
Rmeas | 0.061 | 0.038 | 2.465 |
Total number of observations | 522592 | ||
Number of reflections | 71564 | 2919 | 11846 |
<I/σ(I)> | 13.35 | 50.64 | 0.48 |
Completeness [%] | 99.5 | 0.992 | 0.975 |
Redundancy | 6.936 | 6.84 | 6.61 |
CC(1/2) | 0.999 | 0.999 | 0.375 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 19% (w/v) Peg 4000, 3% (v/v) DMSO, 0.1M Tris-HCl pH 8.5, 0.2M Li2SO4 |