5R0N
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 01, DMSO-free
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-29 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.827 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.441, 82.270, 92.488 |
Unit cell angles | 90.00, 107.79, 90.00 |
Refinement procedure
Resolution | 22.060 - 1.780 |
R-factor | 0.2074 |
Rwork | 0.205 |
R-free | 0.26750 |
Structure solution method | FOURIER SYNTHESIS |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC (5.8.0238) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 22.060 | 50.000 | 1.880 |
High resolution limit [Å] | 1.780 | 5.300 | 1.780 |
Rmerge | 0.067 | 0.026 | 3.608 |
Rmeas | 0.072 | 0.028 | 3.892 |
Total number of observations | 411622 | ||
Number of reflections | 59580 | 2365 | 9254 |
<I/σ(I)> | 15.01 | 70.5 | 0.45 |
Completeness [%] | 98.0 | 0.991 | 0.946 |
Redundancy | 6.899 | 7.27 | 6.67 |
CC(1/2) | 0.999 | 1.000 | 0.188 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG 4000 |