5R0L
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry H11, 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 | 88.239, 81.981, 93.362 |
Unit cell angles | 90.00, 107.93, 90.00 |
Refinement procedure
Resolution | 21.300 - 1.700 |
R-factor | 0.1971 |
Rwork | 0.196 |
R-free | 0.23450 |
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] | 21.300 | 50.000 | 1.800 |
High resolution limit [Å] | 1.700 | 5.060 | 1.700 |
Rmerge | 0.073 | 0.028 | 2.793 |
Rmeas | 0.080 | 0.030 | 3.016 |
Total number of observations | 476376 | ||
Number of reflections | 69424 | 2715 | 10883 |
<I/σ(I)> | 14.2 | 61.8 | 0.68 |
Completeness [%] | 99.2 | 0.996 | 0.966 |
Redundancy | 6.852 | 7.38 | 6.72 |
CC(1/2) | 0.999 | 0.999 | 0.331 |
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 |