5ST2
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02C06 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 | 88.536, 82.015, 93.750 |
Unit cell angles | 90.00, 108.46, 90.00 |
Refinement procedure
Resolution | 44.640 - 1.530 |
R-factor | 0.1999 |
Rwork | 0.199 |
R-free | 0.24540 |
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] | 44.640 | 44.640 | 44.640 |
High resolution limit [Å] | 1.530 | 4.550 | 1.520 |
Rmerge | 0.039 | 3.104 | |
Rmeas | 0.064 | 0.043 | 3.348 |
Total number of observations | 646985 | 24878 | 99264 |
Number of reflections | 93059 | 3718 | 14078 |
<I/σ(I)> | 12.48 | 45.73 | 0.34 |
Completeness [%] | 95.8 | 98.8 | 90 |
Redundancy | 6.95 | 6.69 | 7.05 |
CC(1/2) | 0.999 | 0.998 | 0.342 |
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 |