7FNM
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07D05 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 | 2020-05-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999900 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 89.268, 81.487, 93.226 |
Unit cell angles | 90.00, 108.76, 90.00 |
Refinement procedure
Resolution | 37.050 - 1.720 |
R-factor | 0.2622 |
Rwork | 0.261 |
R-free | 0.28420 |
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] | 37.050 | 37.050 | 37.050 |
High resolution limit [Å] | 1.720 | 5.110 | 1.710 |
Rmerge | 0.045 | 2.906 | |
Rmeas | 0.082 | 0.048 | 3.157 |
Total number of observations | 454042 | 17208 | 68305 |
Number of reflections | 67209 | 2627 | 10315 |
<I/σ(I)> | 10.62 | 38.62 | 0.47 |
Completeness [%] | 99.0 | 99.4 | 94.2 |
Redundancy | 6.76 | 6.55 | 6.62 |
CC(1/2) | 0.999 | 0.998 | 0.260 |
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 |