5R1N
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 38, 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 | 88.355, 82.581, 92.568 |
Unit cell angles | 90.00, 107.67, 90.00 |
Refinement procedure
Resolution | 22.040 - 1.940 |
R-factor | 0.283 |
Rwork | 0.281 |
R-free | 0.32990 |
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] | 22.040 | 50.000 | 2.060 |
High resolution limit [Å] | 1.940 | 5.770 | 1.940 |
Rmerge | 0.091 | 0.036 | 2.758 |
Rmeas | 0.099 | 0.039 | 3.014 |
Total number of observations | 310983 | ||
Number of reflections | 46447 | 1835 | 7176 |
<I/σ(I)> | 11.29 | 47.8 | 0.61 |
Completeness [%] | 99.0 | 0.992 | 0.947 |
Redundancy | 6.672 | 7.21 | 5.81 |
CC(1/2) | 0.999 | 0.999 | 0.226 |
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 |