5STE
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02F11 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 | 88.768, 81.971, 93.760 |
Unit cell angles | 90.00, 108.41, 90.00 |
Refinement procedure
Resolution | 44.480 - 1.510 |
R-factor | 0.2049 |
Rwork | 0.204 |
R-free | 0.23740 |
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] | 1.510 | 4.500 | 1.510 |
Rmerge | 0.027 | 2.490 | |
Rmeas | 0.055 | 0.029 | 2.697 |
Total number of observations | 691432 | 26508 | 109095 |
Number of reflections | 99975 | 3857 | 15944 |
<I/σ(I)> | 14.84 | 65.11 | 0.51 |
Completeness [%] | 99.7 | 99.4 | 98.5 |
Redundancy | 6.92 | 6.87 | 6.84 |
CC(1/2) | 1.000 | 0.999 | 0.281 |
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 |