5R0A
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C02, 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 | 88.201, 81.928, 93.721 |
Unit cell angles | 90.00, 108.51, 90.00 |
Refinement procedure
Resolution | 20.400 - 1.540 |
R-factor | 0.222 |
Rwork | 0.221 |
R-free | 0.25540 |
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] | 20.400 | 50.000 | 1.640 |
High resolution limit [Å] | 1.540 | 4.610 | 1.540 |
Rmerge | 0.082 | 0.033 | 2.997 |
Rmeas | 0.089 | 0.036 | 3.279 |
Total number of observations | 602276 | ||
Number of reflections | 91239 | 3543 | 13970 |
<I/σ(I)> | 11.11 | 54.29 | 0.48 |
Completeness [%] | 98.8 | 0.988 | 0.934 |
Redundancy | 6.569 | 7.36 | 5.62 |
CC(1/2) | 0.999 | 0.999 | 0.281 |
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 |