5SUA
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03F12 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 | 90.212, 81.784, 93.516 |
Unit cell angles | 90.00, 108.65, 90.00 |
Refinement procedure
Resolution | 44.300 - 1.530 |
R-factor | 0.1859 |
Rwork | 0.185 |
R-free | 0.23270 |
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] | 44.300 | 44.300 | 44.300 |
High resolution limit [Å] | 1.530 | 4.580 | 1.530 |
Rmerge | 0.034 | 2.938 | |
Rmeas | 0.062 | 0.036 | 3.183 |
Total number of observations | 659134 | 25433 | 101061 |
Number of reflections | 95458 | 3701 | 14872 |
<I/σ(I)> | 13.39 | 52.25 | 0.48 |
Completeness [%] | 99.3 | 99.4 | 96.3 |
Redundancy | 6.9 | 6.87 | 6.8 |
CC(1/2) | 0.999 | 0.999 | 0.265 |
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 |