5ST4
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02D05 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 | 2020-06-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999900 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.743, 82.095, 94.338 |
Unit cell angles | 90.00, 108.61, 90.00 |
Refinement procedure
Resolution | 44.730 - 1.440 |
R-factor | 0.2033 |
Rwork | 0.203 |
R-free | 0.23040 |
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] | 44.730 | 44.730 | 44.730 |
High resolution limit [Å] | 1.440 | 4.290 | 1.440 |
Rmerge | 0.029 | 1.834 | |
Rmeas | 0.057 | 0.031 | 1.980 |
Total number of observations | 801251 | 30937 | 123477 |
Number of reflections | 115433 | 4454 | 18108 |
<I/σ(I)> | 14.67 | 59.63 | 0.67 |
Completeness [%] | 99.2 | 99.3 | 96.9 |
Redundancy | 6.94 | 6.95 | 6.82 |
CC(1/2) | 0.999 | 0.999 | 0.403 |
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 |