5QYI

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry G12a

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	89.201, 82.166, 93.289
Unit cell angles	90.00, 108.02, 90.00

Refinement procedure

Resolution	44.920 - 1.580
R-factor	0.2199
Rwork	0.219
R-free	0.21994
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.498
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]	44.920	50.000	1.670
High resolution limit [Å]	1.580	4.700	1.570
Rmerge	0.072	0.047	2.528
Rmeas	0.078	0.051	2.730
Total number of observations	594588
Number of reflections	81215	3391	12800
<I/σ(I)>	10.95	34.39	0.62
Completeness [%]	96.5	0.992	0.895
Redundancy	6.943	6.88	6.25
CC(1/2)	0.999	0.998	0.305

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