7FLS
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G02 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 | 2020-05-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999900 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 87.983, 82.226, 93.447 |
Unit cell angles | 90.00, 107.95, 90.00 |
Refinement procedure
Resolution | 39.810 - 1.510 |
R-factor | 0.2068 |
Rwork | 0.206 |
R-free | 0.23330 |
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] | 39.810 | 39.810 | 39.810 |
High resolution limit [Å] | 1.510 | 4.500 | 1.510 |
Rmerge | 0.054 | 2.571 | |
Rmeas | 0.072 | 0.058 | 2.784 |
Total number of observations | 690534 | 26399 | 108572 |
Number of reflections | 99313 | 3821 | 15835 |
<I/σ(I)> | 10.8 | 35.38 | 0.52 |
Completeness [%] | 99.7 | 99.1 | 98.8 |
Redundancy | 6.95 | 6.91 | 6.86 |
CC(1/2) | 0.998 | 0.995 | 0.348 |
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 |