7FLE
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05C05 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 | 88.553, 82.234, 93.348 |
Unit cell angles | 90.00, 108.02, 90.00 |
Refinement procedure
Resolution | 44.380 - 1.570 |
R-factor | 0.2098 |
Rwork | 0.209 |
R-free | 0.24030 |
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] | 44.380 | 44.380 | 44.380 |
High resolution limit [Å] | 1.570 | 4.660 | 1.560 |
Rmerge | 0.033 | 2.694 | |
Rmeas | 0.057 | 0.036 | 2.914 |
Total number of observations | 612412 | 23551 | 91279 |
Number of reflections | 89062 | 3458 | 13488 |
<I/σ(I)> | 13.76 | 52.27 | 0.42 |
Completeness [%] | 98.8 | 99.3 | 93.1 |
Redundancy | 6.88 | 6.81 | 6.77 |
CC(1/2) | 0.999 | 0.999 | 0.307 |
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 |