5R0V
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 09, 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 | 88.794, 82.179, 92.924 |
Unit cell angles | 90.00, 108.16, 90.00 |
Refinement procedure
Resolution | 22.680 - 1.810 |
R-factor | 0.2844 |
Rwork | 0.283 |
R-free | 0.32000 |
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] | 22.680 | 50.000 | 1.920 |
High resolution limit [Å] | 1.810 | 5.380 | 1.810 |
Rmerge | 0.067 | 0.026 | 3.542 |
Rmeas | 0.072 | 0.028 | 3.831 |
Total number of observations | 393979 | ||
Number of reflections | 57876 | 2263 | 9098 |
<I/σ(I)> | 15.72 | 70.42 | 0.56 |
Completeness [%] | 99.4 | 0.99 | 0.969 |
Redundancy | 6.799 | 7.28 | 6.63 |
CC(1/2) | 0.999 | 0.999 | 0.293 |
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 |