5QZ3
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 18
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 | 88.525, 81.854, 93.633 |
Unit cell angles | 90.00, 108.38, 90.00 |
Refinement procedure
Resolution | 44.670 - 1.530 |
R-factor | 0.2841 |
Rwork | 0.282 |
R-free | 0.28409 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.537 |
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] | 44.670 | 50.000 | 1.620 |
High resolution limit [Å] | 1.530 | 4.570 | 1.530 |
Rmerge | 0.059 | 0.041 | 2.633 |
Rmeas | 0.064 | 0.045 | 2.853 |
Total number of observations | 615489 | ||
Number of reflections | 89351 | 3646 | 14326 |
<I/σ(I)> | 11.23 | 41.93 | 0.39 |
Completeness [%] | 98.5 | 0.983 | 0.927 |
Redundancy | 6.523 | 6.38 | 6.18 |
CC(1/2) | 0.999 | 0.997 | 0.473 |
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 |