7FOO
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C06 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 | 2020-05-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999900 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.618, 81.972, 93.646 |
Unit cell angles | 90.00, 108.37, 90.00 |
Refinement procedure
Resolution | 44.440 - 1.590 |
R-factor | 0.2345 |
Rwork | 0.233 |
R-free | 0.27900 |
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] | 44.440 | 44.440 | 44.440 |
High resolution limit [Å] | 1.590 | 4.740 | 1.590 |
Rmerge | 0.072 | 0.452 | |
Rmeas | 0.071 | 0.078 | 0.527 |
Total number of observations | 371404 | 22781 | 36121 |
Number of reflections | 74756 | 3313 | 9567 |
<I/σ(I)> | 15.56 | 28.91 | 4.3 |
Completeness [%] | 87.0 | 99.3 | 69.3 |
Redundancy | 4.97 | 6.88 | 3.78 |
CC(1/2) | 0.997 | 0.995 | 0.855 |
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 |