5QZ9
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 24
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 | 89.093, 81.639, 93.345 |
Unit cell angles | 90.00, 108.53, 90.00 |
Refinement procedure
Resolution | 44.290 - 1.430 |
R-factor | 0.22 |
Rwork | 0.219 |
R-free | 0.22004 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.011 |
RMSD bond angle | 1.614 |
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] | 44.290 | 50.000 | 1.510 |
High resolution limit [Å] | 1.430 | 4.270 | 1.430 |
Rmerge | 0.049 | 0.031 | 2.245 |
Rmeas | 0.053 | 0.034 | 2.434 |
Total number of observations | 808003 | ||
Number of reflections | 111095 | 4484 | 18521 |
<I/σ(I)> | 14.16 | 55.93 | 0.6 |
Completeness [%] | 99.5 | 0.992 | 0.976 |
Redundancy | 6.909 | 6.85 | 6.61 |
CC(1/2) | 0.999 | 0.999 | 0.425 |
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 |