5QZ2
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 17
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 | 87.831, 81.601, 93.142 |
Unit cell angles | 90.00, 108.38, 90.00 |
Refinement procedure
Resolution | 44.420 - 1.540 |
R-factor | 0.2216 |
Rwork | 0.220 |
R-free | 0.22159 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.527 |
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] | 44.420 | 50.000 | 1.630 |
High resolution limit [Å] | 1.540 | 4.580 | 1.540 |
Rmerge | 0.072 | 0.045 | 2.743 |
Rmeas | 0.078 | 0.049 | 2.971 |
Total number of observations | 626079 | ||
Number of reflections | 87625 | 3570 | 14389 |
<I/σ(I)> | 10.81 | 35.83 | 0.61 |
Completeness [%] | 99.3 | 0.992 | 0.961 |
Redundancy | 6.781 | 6.77 | 6.46 |
CC(1/2) | 0.998 | 0.998 | 0.361 |
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 |