5QZ1
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 17
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 | 88.238, 82.120, 93.523 |
Unit cell angles | 90.00, 108.15, 90.00 |
Refinement procedure
Resolution | 44.730 - 1.580 |
R-factor | 0.2469 |
Rwork | 0.245 |
R-free | 0.24689 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.512 |
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] | 44.730 | 50.000 | 1.670 |
High resolution limit [Å] | 1.580 | 4.700 | 1.570 |
Rmerge | 0.066 | 0.040 | 3.479 |
Rmeas | 0.071 | 0.044 | 3.774 |
Total number of observations | 569460 | ||
Number of reflections | 81086 | 3357 | 12660 |
<I/σ(I)> | 10.67 | 39.96 | 0.37 |
Completeness [%] | 98.1 | 0.991 | 0.897 |
Redundancy | 6.619 | 6.6 | 5.95 |
CC(1/2) | 0.999 | 0.998 | 0.267 |
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 |