5QY9

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C11b

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, 81.898, 93.959
Unit cell angles	90.00, 108.72, 90.00

Refinement procedure

Resolution	44.670 - 1.400
R-factor	0.2096
Rwork	0.209
R-free	0.20960
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.880
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]	44.670	50.000	1.680
High resolution limit [Å]	1.400	4.730	1.580
Rmerge	0.087	0.055	2.378
Rmeas	0.094	0.060	2.580
Total number of observations	566360
Number of reflections	117061	3327	13113
<I/σ(I)>	9.09	29.58	0.57
Completeness [%]	98.8	0.996	0.945
Redundancy	6.658	6.82	6.26
CC(1/2)	0.998	0.997	0.361

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