5R00
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 51
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 | 88.712, 81.724, 93.010 |
Unit cell angles | 90.00, 108.08, 90.00 |
Refinement procedure
Resolution | 44.690 - 1.720 |
R-factor | 0.2271 |
Rwork | 0.225 |
R-free | 0.22713 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.426 |
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] | 44.690 | 50.000 | 1.820 |
High resolution limit [Å] | 1.720 | 5.120 | 1.720 |
Rmerge | 0.079 | 0.042 | 2.593 |
Rmeas | 0.085 | 0.045 | 2.804 |
Total number of observations | 453732 | ||
Number of reflections | 62374 | 2609 | 10200 |
<I/σ(I)> | 10.23 | 33.26 | 0.72 |
Completeness [%] | 97.2 | 0.992 | 0.937 |
Redundancy | 6.908 | 6.68 | 6.45 |
CC(1/2) | 0.998 | 0.998 | 0.356 |
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 |