5R0E

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry D02, DMSO-free

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-29
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.827
Spacegroup name	C 1 2 1
Unit cell lengths	88.905, 82.050, 94.357
Unit cell angles	90.00, 108.99, 90.00

Refinement procedure

Resolution	26.580 - 1.590
R-factor	0.2069
Rwork	0.206
R-free	0.23570
Structure solution method	FOURIER SYNTHESIS
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]	26.580	50.000	1.690
High resolution limit [Å]	1.590	4.760	1.590
Rmerge	0.053	0.028	1.779
Rmeas	0.057	0.030	1.923
Total number of observations	577864
Number of reflections	84619	3289	13122
<I/σ(I)>	16.72	62.93	1.03
Completeness [%]	99.2	0.994	0.957
Redundancy	6.824	7.3	6.62
CC(1/2)	0.999	0.999	0.482

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	20% (w/v) PEG 4000, 0.2M Tris-HCl pH 8.5, 0.2M Li2SO4