7FMD
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06B12 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 | 2020-05-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999900 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 89.391, 81.534, 93.004 |
Unit cell angles | 90.00, 108.45, 90.00 |
Refinement procedure
Resolution | 44.110 - 1.680 |
R-factor | 0.2335 |
Rwork | 0.232 |
R-free | 0.27340 |
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] | 44.110 | 44.110 | 44.110 |
High resolution limit [Å] | 1.680 | 5.000 | 1.680 |
Rmerge | 0.035 | 2.979 | |
Rmeas | 0.071 | 0.038 | 3.247 |
Total number of observations | 474674 | 19286 | 68721 |
Number of reflections | 70960 | 2812 | 10938 |
<I/σ(I)> | 11.77 | 43.82 | 0.58 |
Completeness [%] | 97.5 | 99.4 | 93.4 |
Redundancy | 6.69 | 6.86 | 6.28 |
CC(1/2) | 0.999 | 0.999 | 0.253 |
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 |