5QY3
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry B03a
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 | 88.887, 81.542, 93.567 |
Unit cell angles | 90.00, 108.44, 90.00 |
Refinement procedure
Resolution | 44.650 - 1.580 |
R-factor | 0.2096 |
Rwork | 0.208 |
R-free | 0.20961 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.490 |
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] | 44.650 | 50.000 | 1.670 |
High resolution limit [Å] | 1.580 | 4.710 | 1.580 |
Rmerge | 0.068 | 0.032 | 2.281 |
Rmeas | 0.073 | 0.035 | 2.473 |
Total number of observations | 591530 | ||
Number of reflections | 82526 | 3365 | 13735 |
<I/σ(I)> | 12.66 | 50.16 | 0.67 |
Completeness [%] | 99.5 | 0.996 | 0.975 |
Redundancy | 6.812 | 6.78 | 6.55 |
CC(1/2) | 0.999 | 0.999 | 0.331 |
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 |