5R04
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 55
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 | 89.077, 82.031, 94.300 |
Unit cell angles | 90.00, 108.98, 90.00 |
Refinement procedure
Resolution | 42.150 - 1.340 |
R-factor | 0.2325 |
Rwork | 0.232 |
R-free | 0.23252 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.012 |
RMSD bond angle | 1.725 |
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] | 42.150 | 50.000 | 1.420 |
High resolution limit [Å] | 1.340 | 4.000 | 1.340 |
Rmerge | 0.069 | 0.045 | 2.236 |
Rmeas | 0.075 | 0.048 | 2.410 |
Total number of observations | 985861 | ||
Number of reflections | 132285 | 5495 | 21702 |
<I/σ(I)> | 10.84 | 39.43 | 0.45 |
Completeness [%] | 96.6 | 0.991 | 0.932 |
Redundancy | 7.072 | 6.98 | 6.56 |
CC(1/2) | 0.999 | 0.998 | 0.334 |
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 |