7FKN
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E05 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 | 88.252, 81.975, 93.680 |
Unit cell angles | 90.00, 108.70, 90.00 |
Refinement procedure
Resolution | 44.480 - 1.550 |
R-factor | 0.2141 |
Rwork | 0.213 |
R-free | 0.25060 |
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] | 44.480 | 44.480 | 44.480 |
High resolution limit [Å] | 1.550 | 4.620 | 1.550 |
Rmerge | 0.023 | 2.394 | |
Rmeas | 0.045 | 0.025 | 2.592 |
Total number of observations | 634630 | 24339 | 99360 |
Number of reflections | 91772 | 3530 | 14540 |
<I/σ(I)> | 16.47 | 74.45 | 0.54 |
Completeness [%] | 99.6 | 99.4 | 98.1 |
Redundancy | 6.92 | 6.89 | 6.83 |
CC(1/2) | 1.000 | 0.999 | 0.444 |
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 |