5SU3
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03D12 from the F2X-Universal Library
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 | 2020-06-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999900 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.916, 81.868, 93.189 |
Unit cell angles | 90.00, 108.19, 90.00 |
Refinement procedure
Resolution | 44.260 - 1.650 |
R-factor | 0.2207 |
Rwork | 0.220 |
R-free | 0.24900 |
Structure solution method | FOURIER SYNTHESIS |
Data reduction software | XDS (Jan 10, 2022) |
Data scaling software | Aimless |
Phasing software | PHENIX (1.17.1_3660) |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.260 | 44.260 | 44.260 |
High resolution limit [Å] | 1.650 | 4.890 | 1.640 |
Rmerge | 0.044 | 3.410 | |
Rmeas | 0.096 | 0.047 | 3.692 |
Total number of observations | 515208 | 20558 | 75048 |
Number of reflections | 76013 | 3011 | 11149 |
<I/σ(I)> | 10.06 | 37.36 | 0.48 |
Completeness [%] | 97.5 | 99.4 | 89 |
Redundancy | 6.78 | 6.83 | 6.73 |
CC(1/2) | 0.999 | 0.998 | 0.308 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 19% PEG4000, 3% DMSO, 0.1 M Tris, pH 8.5, 0.2 M lithium sulfate |