7FLK
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05E08 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 | 2020-05-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999900 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 89.443, 82.058, 93.476 |
Unit cell angles | 90.00, 108.42, 90.00 |
Refinement procedure
Resolution | 41.030 - 1.620 |
R-factor | 0.2072 |
Rwork | 0.206 |
R-free | 0.23900 |
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] | 41.030 | 41.030 | 41.030 |
High resolution limit [Å] | 1.620 | 4.820 | 1.610 |
Rmerge | 0.036 | 2.413 | |
Rmeas | 0.061 | 0.039 | 2.613 |
Total number of observations | 563082 | 21802 | 85890 |
Number of reflections | 81711 | 3179 | 12736 |
<I/σ(I)> | 12.93 | 45.66 | 0.53 |
Completeness [%] | 99.3 | 99.4 | 96.5 |
Redundancy | 6.89 | 6.86 | 6.74 |
CC(1/2) | 0.999 | 0.998 | 0.328 |
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 |