5ST9
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02F01 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 | 89.151, 81.783, 93.917 |
Unit cell angles | 90.00, 108.90, 90.00 |
Refinement procedure
Resolution | 44.020 - 1.400 |
R-factor | 0.1921 |
Rwork | 0.192 |
R-free | 0.22340 |
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] | 44.020 | 44.020 | 44.020 |
High resolution limit [Å] | 1.400 | 4.180 | 1.400 |
Rmerge | 0.037 | 2.339 | |
Rmeas | 0.066 | 0.040 | 2.531 |
Total number of observations | 854978 | 33469 | 131334 |
Number of reflections | 124704 | 4834 | 19506 |
<I/σ(I)> | 12.53 | 43.36 | 0.81 |
Completeness [%] | 98.9 | 99.4 | 95.9 |
Redundancy | 6.86 | 6.92 | 6.73 |
CC(1/2) | 0.999 | 0.998 | 0.389 |
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 |