5SU2
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03D10 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 | 87.768, 81.535, 92.644 |
Unit cell angles | 90.00, 107.93, 90.00 |
Refinement procedure
Resolution | 44.070 - 1.850 |
R-factor | 0.2699 |
Rwork | 0.268 |
R-free | 0.31560 |
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] | 44.070 | 44.070 | 44.070 |
High resolution limit [Å] | 1.850 | 5.520 | 1.850 |
Rmerge | 0.062 | 2.956 | |
Rmeas | 0.125 | 0.068 | 3.211 |
Total number of observations | 354571 | 13462 | 48813 |
Number of reflections | 51880 | 2062 | 7495 |
<I/σ(I)> | 7.81 | 27.63 | 0.5 |
Completeness [%] | 98.0 | 99.7 | 88 |
Redundancy | 6.83 | 6.53 | 6.51 |
CC(1/2) | 0.997 | 0.996 | 0.332 |
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 |