5QYD

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry E05a

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	88.219, 82.141, 94.089
Unit cell angles	90.00, 108.47, 90.00

Refinement procedure

Resolution	44.700 - 1.670
R-factor	0.2209
Rwork	0.220
R-free	0.22091
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.450
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]	44.700	50.000	1.770
High resolution limit [Å]	1.670	4.980	1.670
Rmerge	0.093	0.041	2.933
Rmeas	0.101	0.044	3.182
Total number of observations	496726
Number of reflections	68950	2847	10927
<I/σ(I)>	10.36	41.35	0.56
Completeness [%]	98.5	0.994	0.916
Redundancy	6.823	6.85	6.11
CC(1/2)	0.999	0.999	0.313

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