5QZV
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 46
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 | 88.771, 81.644, 93.263 |
Unit cell angles | 90.00, 108.42, 90.00 |
Refinement procedure
Resolution | 44.610 - 2.110 |
R-factor | 0.2052 |
Rwork | 0.203 |
R-free | 0.20517 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.473 |
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] | 44.610 | 50.000 | 2.240 |
High resolution limit [Å] | 2.110 | 6.280 | 2.110 |
Rmerge | 0.037 | 0.028 | 0.212 |
Rmeas | 0.040 | 0.030 | 0.270 |
Total number of observations | 136546 | ||
Number of reflections | 20581 | 1429 | 590 |
<I/σ(I)> | 30.86 | 54.35 | 2.74 |
Completeness [%] | 59.6 | 0.99 | 0.101 |
Redundancy | 6.294 | 6.79 | 0.24 |
CC(1/2) | 0.999 | 0.999 | 0.902 |
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 |