5QYF
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry F02a
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 | 88.215, 81.984, 93.727 |
Unit cell angles | 90.00, 108.48, 90.00 |
Refinement procedure
Resolution | 44.610 - 1.490 |
R-factor | 0.2232 |
Rwork | 0.222 |
R-free | 0.22324 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.013 |
RMSD bond angle | 1.532 |
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 | 1.580 |
High resolution limit [Å] | 1.490 | 4.440 | 1.490 |
Rmerge | 0.086 | 0.067 | 2.392 |
Rmeas | 0.093 | 0.073 | 2.577 |
Total number of observations | 718596 | ||
Number of reflections | 96495 | 3988 | 15952 |
<I/σ(I)> | 8.57 | 28.81 | 0.28 |
Completeness [%] | 98.0 | 0.995 | 0.953 |
Redundancy | 7.066 | 6.92 | 6.73 |
CC(1/2) | 0.997 | 0.993 | 0.378 |
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 |