5R0G
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry D07, 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 | 88.199, 82.298, 93.113 |
Unit cell angles | 90.00, 108.08, 90.00 |
Refinement procedure
Resolution | 21.220 - 1.730 |
R-factor | 0.291 |
Rwork | 0.289 |
R-free | 0.34000 |
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] | 21.220 | 50.000 | 1.830 |
High resolution limit [Å] | 1.730 | 5.150 | 1.730 |
Rmerge | 0.067 | 0.032 | 3.259 |
Rmeas | 0.073 | 0.034 | 3.511 |
Total number of observations | 454106 | ||
Number of reflections | 64893 | 2565 | 10246 |
<I/σ(I)> | 12.97 | 57.79 | 0.43 |
Completeness [%] | 98.0 | 0.99 | 0.958 |
Redundancy | 6.983 | 7.33 | 6.87 |
CC(1/2) | 0.999 | 0.999 | 0.316 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 20% (w/v) PEG 4000, 0.2M Tris-HCl pH 8.5, 0.2M Li2SO4 |