5QZO
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 39
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.827 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.329, 81.942, 93.581 |
Unit cell angles | 90.00, 108.41, 90.00 |
Refinement procedure
Resolution | 44.440 - 1.390 |
R-factor | 0.2207 |
Rwork | 0.220 |
R-free | 0.22070 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.634 |
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] | 44.440 | 50.000 | 1.470 |
High resolution limit [Å] | 1.390 | 4.150 | 1.390 |
Rmerge | 0.078 | 0.063 | 2.522 |
Rmeas | 0.084 | 0.068 | 2.715 |
Total number of observations | 879974 | ||
Number of reflections | 115634 | 4837 | 19155 |
<I/σ(I)> | 8.97 | 30.67 | 0.25 |
Completeness [%] | 96.0 | 0.985 | 0.935 |
Redundancy | 7.203 | 6.93 | 6.75 |
CC(1/2) | 0.997 | 0.995 | 0.380 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 19% (w/v) Peg 4000, 3% (v/v) DMSO, 0.1M Tris-HCl pH 8.5, 0.2M Li2SO4 |