5QYA

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry D02a

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	89.110, 81.726, 93.682
Unit cell angles	90.00, 108.54, 90.00

Refinement procedure

Resolution	44.700 - 1.550
R-factor	0.2191
Rwork	0.218
R-free	0.21905
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.399
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	1.640
High resolution limit [Å]	1.550	4.620	1.550
Rmerge	0.068	0.031	3.101
Rmeas	0.074	0.034	3.358
Total number of observations	639358
Number of reflections	87552	3569	14573
<I/σ(I)>	11.29	52.08	0.41
Completeness [%]	99.5	0.994	0.975
Redundancy	6.921	6.93	6.69
CC(1/2)	0.999	0.999	0.314

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