7FM6
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06A03 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 | 88.268, 81.759, 93.109 |
Unit cell angles | 90.00, 107.99, 90.00 |
Refinement procedure
Resolution | 41.980 - 1.550 |
R-factor | 0.2145 |
Rwork | 0.214 |
R-free | 0.25030 |
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] | 41.980 | 41.980 | 41.980 |
High resolution limit [Å] | 1.550 | 4.620 | 1.550 |
Rmerge | 0.036 | 3.050 | |
Rmeas | 0.065 | 0.039 | 3.305 |
Total number of observations | 630193 | 24100 | 99411 |
Number of reflections | 91383 | 3527 | 14545 |
<I/σ(I)> | 11.72 | 48.64 | 0.43 |
Completeness [%] | 99.7 | 99.6 | 98.7 |
Redundancy | 6.9 | 6.83 | 6.83 |
CC(1/2) | 0.999 | 0.999 | 0.263 |
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 |