7FKB
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04C07 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 | 88.741, 81.589, 93.349 |
Unit cell angles | 90.00, 108.18, 90.00 |
Refinement procedure
Resolution | 42.160 - 1.680 |
R-factor | 0.2759 |
Rwork | 0.275 |
R-free | 0.31730 |
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] | 42.160 | 42.160 | 42.160 |
High resolution limit [Å] | 1.680 | 4.990 | 1.670 |
Rmerge | 0.054 | 2.642 | |
Rmeas | 0.099 | 0.059 | 2.873 |
Total number of observations | 477217 | 18846 | 66927 |
Number of reflections | 71241 | 2818 | 10169 |
<I/σ(I)> | 8.96 | 31.12 | 0.52 |
Completeness [%] | 97.8 | 99.6 | 86.8 |
Redundancy | 6.7 | 6.69 | 6.58 |
CC(1/2) | 0.998 | 0.997 | 0.361 |
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 |