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