5R1L
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 36, 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 | 88.665, 82.666, 92.195 |
Unit cell angles | 90.00, 107.51, 90.00 |
Refinement procedure
Resolution | 26.720 - 1.940 |
R-factor | 0.2535 |
Rwork | 0.251 |
R-free | 0.30940 |
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] | 26.720 | 50.000 | 2.060 |
High resolution limit [Å] | 1.940 | 5.790 | 1.940 |
Rmerge | 0.073 | 0.034 | 2.151 |
Rmeas | 0.079 | 0.037 | 2.341 |
Total number of observations | 313697 | ||
Number of reflections | 46389 | 1825 | 7205 |
<I/σ(I)> | 13.46 | 52.3 | 0.74 |
Completeness [%] | 99.2 | 0.995 | 0.956 |
Redundancy | 6.756 | 7.2 | 6.11 |
CC(1/2) | 0.999 | 0.999 | 0.270 |
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 |