5R02
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 53
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 | 88.927, 81.943, 92.978 |
Unit cell angles | 90.00, 107.91, 90.00 |
Refinement procedure
Resolution | 44.830 - 1.660 |
R-factor | 0.2122 |
Rwork | 0.211 |
R-free | 0.21221 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.495 |
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] | 44.830 | 50.000 | 1.770 |
High resolution limit [Å] | 1.660 | 4.970 | 1.660 |
Rmerge | 0.058 | 0.025 | 2.395 |
Rmeas | 0.063 | 0.027 | 2.596 |
Total number of observations | 506759 | ||
Number of reflections | 70052 | 2864 | 11476 |
<I/σ(I)> | 14.34 | 60.48 | 0.63 |
Completeness [%] | 99.2 | 0.993 | 0.959 |
Redundancy | 6.872 | 6.83 | 6.47 |
CC(1/2) | 0.999 | 0.999 | 0.336 |
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 |