7FP3
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08F11 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 | 2020-06-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999900 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 89.625, 81.623, 93.167 |
Unit cell angles | 90.00, 108.51, 90.00 |
Refinement procedure
Resolution | 44.170 - 1.760 |
R-factor | 0.2643 |
Rwork | 0.263 |
R-free | 0.31070 |
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] | 44.170 | 44.170 | 44.170 |
High resolution limit [Å] | 1.760 | 5.220 | 1.750 |
Rmerge | 0.038 | 2.886 | |
Rmeas | 0.081 | 0.041 | 3.137 |
Total number of observations | 426273 | 16906 | 62422 |
Number of reflections | 63260 | 2482 | 9682 |
<I/σ(I)> | 10.78 | 40.6 | 0.58 |
Completeness [%] | 98.8 | 99.4 | 93.9 |
Redundancy | 6.74 | 6.81 | 6.45 |
CC(1/2) | 0.999 | 0.999 | 0.321 |
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 |