5QYB
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry D06a
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 | 90.344, 82.651, 91.009 |
Unit cell angles | 90.00, 107.67, 90.00 |
Refinement procedure
Resolution | 44.960 - 2.100 |
R-factor | 0.2228 |
Rwork | 0.221 |
R-free | 0.22285 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.577 |
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] | 44.960 | 50.000 | 2.230 |
High resolution limit [Å] | 2.100 | 6.250 | 2.100 |
Rmerge | 0.065 | 0.054 | 0.864 |
Rmeas | 0.070 | 0.058 | 0.964 |
Total number of observations | 201641 | ||
Number of reflections | 33141 | 1470 | 4814 |
<I/σ(I)> | 12.26 | 24.55 | 2.77 |
Completeness [%] | 93.5 | 0.992 | 0.807 |
Redundancy | 5.727 | 6.56 | 4.08 |
CC(1/2) | 0.998 | 0.996 | 0.748 |
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 |