5QZ8
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 23
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 | 88.845, 82.301, 93.803 |
Unit cell angles | 90.00, 108.38, 90.00 |
Refinement procedure
Resolution | 44.830 - 1.620 |
R-factor | 0.2518 |
Rwork | 0.250 |
R-free | 0.25184 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.528 |
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] | 44.830 | 50.000 | 1.710 |
High resolution limit [Å] | 1.620 | 4.820 | 1.620 |
Rmerge | 0.065 | 0.039 | 2.157 |
Rmeas | 0.071 | 0.042 | 2.337 |
Total number of observations | 548499 | ||
Number of reflections | 77465 | 3167 | 12878 |
<I/σ(I)> | 13.3 | 47.26 | 0.47 |
Completeness [%] | 99.5 | 0.994 | 0.975 |
Redundancy | 6.717 | 6.73 | 6.57 |
CC(1/2) | 0.999 | 0.998 | 0.405 |
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 |