5STN
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03A11 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 | 88.889, 81.622, 93.199 |
Unit cell angles | 90.00, 108.74, 90.00 |
Refinement procedure
Resolution | 36.960 - 1.560 |
R-factor | 0.2125 |
Rwork | 0.212 |
R-free | 0.24260 |
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] | 36.960 | 36.960 | 36.960 |
High resolution limit [Å] | 1.560 | 4.670 | 1.560 |
Rmerge | 0.041 | 3.664 | |
Rmeas | 0.072 | 0.045 | 3.975 |
Total number of observations | 606227 | 23358 | 92733 |
Number of reflections | 88251 | 3414 | 13738 |
<I/σ(I)> | 10.83 | 42 | 0.37 |
Completeness [%] | 99.2 | 99.6 | 95.9 |
Redundancy | 6.87 | 6.84 | 6.75 |
CC(1/2) | 0.999 | 0.998 | 0.219 |
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 |