5QYX
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 13
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 | 88.377, 82.175, 93.912 |
Unit cell angles | 90.00, 108.30, 90.00 |
Refinement procedure
Resolution | 41.088 - 1.597 |
R-factor | 0.2125 |
Rwork | 0.212 |
R-free | 0.24700 |
Structure solution method | FOURIER SYNTHESIS |
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] | 41.088 | 50.000 | 1.690 |
High resolution limit [Å] | 1.600 | 4.760 | 1.590 |
Rmerge | 0.077 | 0.048 | 2.471 |
Rmeas | 0.084 | 0.052 | 2.677 |
Total number of observations | 582146 | ||
Number of reflections | 84181 | 3288 | 13063 |
<I/σ(I)> | 10.27 | 36.73 | 0.5 |
Completeness [%] | 99.2 | 0.996 | 0.957 |
Redundancy | 6.899 | 6.88 | 6.48 |
CC(1/2) | 0.998 | 0.997 | 0.353 |
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 |