7FL5
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04H07 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 | 89.670, 81.669, 92.929 |
Unit cell angles | 90.00, 108.43, 90.00 |
Refinement procedure
Resolution | 42.540 - 1.890 |
R-factor | 0.2449 |
Rwork | 0.243 |
R-free | 0.28290 |
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] | 42.540 | 42.540 | 42.540 |
High resolution limit [Å] | 1.890 | 5.640 | 1.890 |
Rmerge | 0.033 | 2.240 | |
Rmeas | 0.092 | 0.036 | 2.426 |
Total number of observations | 350894 | 13420 | 53080 |
Number of reflections | 50309 | 1972 | 7831 |
<I/σ(I)> | 11.89 | 46.34 | 0.73 |
Completeness [%] | 99.3 | 99.5 | 96.4 |
Redundancy | 6.97 | 6.81 | 6.78 |
CC(1/2) | 0.999 | 0.999 | 0.391 |
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 |