5QZW
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 47
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 | 88.522, 82.031, 93.961 |
Unit cell angles | 90.00, 108.83, 90.00 |
Refinement procedure
Resolution | 43.770 - 1.360 |
R-factor | 0.2274 |
Rwork | 0.226 |
R-free | 0.22736 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.012 |
RMSD bond angle | 1.727 |
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] | 43.770 | 50.000 | 1.440 |
High resolution limit [Å] | 1.360 | 4.060 | 1.360 |
Rmerge | 0.050 | 0.029 | 2.366 |
Rmeas | 0.054 | 0.031 | 2.552 |
Total number of observations | 935564 | ||
Number of reflections | 127211 | 5213 | 21064 |
<I/σ(I)> | 13.74 | 59.11 | 0.4 |
Completeness [%] | 97.9 | 0.994 | 0.957 |
Redundancy | 6.989 | 6.92 | 6.64 |
CC(1/2) | 0.999 | 0.999 | 0.316 |
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 |