5R0K
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry G12, 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 | 88.141, 82.546, 92.575 |
Unit cell angles | 90.00, 107.67, 90.00 |
Refinement procedure
Resolution | 21.250 - 1.800 |
R-factor | 0.2474 |
Rwork | 0.245 |
R-free | 0.30190 |
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] | 21.250 | 50.000 | 1.910 |
High resolution limit [Å] | 1.800 | 5.360 | 1.800 |
Rmerge | 0.067 | 0.025 | 2.904 |
Rmeas | 0.072 | 0.027 | 3.139 |
Total number of observations | 398873 | ||
Number of reflections | 58534 | 2291 | 9268 |
<I/σ(I)> | 15.47 | 70.89 | 0.53 |
Completeness [%] | 99.6 | 0.991 | 0.981 |
Redundancy | 6.804 | 7.24 | 6.74 |
CC(1/2) | 0.999 | 1.000 | 0.312 |
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 |