5QYK

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry H12a

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	89.336, 81.876, 93.630
Unit cell angles	90.00, 108.56, 90.00

Refinement procedure

Resolution	44.750 - 1.630
R-factor	0.2135
Rwork	0.212
R-free	0.21351
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
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]	44.750	50.000	1.720
High resolution limit [Å]	1.630	4.850	1.630
Rmerge	0.050	0.031	2.382
Rmeas	0.055	0.034	2.584
Total number of observations	547190
Number of reflections	75795	3107	12500
<I/σ(I)>	14.73	51.47	0.62
Completeness [%]	99.3	0.993	0.965
Redundancy	6.85	6.8	6.44
CC(1/2)	0.999	0.999	0.355

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