5ST3
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02C09 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 | 88.765, 82.060, 93.560 |
Unit cell angles | 90.00, 108.26, 90.00 |
Refinement procedure
Resolution | 44.740 - 1.470 |
R-factor | 0.211 |
Rwork | 0.211 |
R-free | 0.23130 |
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] | 44.740 | 44.740 | 44.740 |
High resolution limit [Å] | 1.470 | 4.380 | 1.470 |
Rmerge | 0.033 | 2.985 | |
Rmeas | 0.059 | 0.035 | 3.218 |
Total number of observations | 750381 | 29111 | 117059 |
Number of reflections | 106650 | 4171 | 16710 |
<I/σ(I)> | 12.53 | 52.95 | 0.32 |
Completeness [%] | 98.1 | 99.2 | 95.4 |
Redundancy | 7.04 | 6.98 | 7.01 |
CC(1/2) | 0.999 | 0.999 | 0.315 |
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 |