7FL1
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04H03 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 | 88.157, 82.220, 93.585 |
Unit cell angles | 90.00, 108.33, 90.00 |
Refinement procedure
Resolution | 44.420 - 1.550 |
R-factor | 0.2117 |
Rwork | 0.211 |
R-free | 0.23090 |
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] | 44.420 | 44.420 | 44.420 |
High resolution limit [Å] | 1.550 | 4.620 | 1.550 |
Rmerge | 0.031 | 2.506 | |
Rmeas | 0.056 | 0.034 | 2.703 |
Total number of observations | 636759 | 24169 | 100618 |
Number of reflections | 90952 | 3531 | 14387 |
<I/σ(I)> | 13.64 | 52.93 | 0.5 |
Completeness [%] | 98.7 | 99.4 | 97 |
Redundancy | 7 | 6.84 | 6.99 |
CC(1/2) | 0.999 | 0.999 | 0.397 |
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 |