5R0H

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry E05, 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	87.600, 82.011, 93.386
Unit cell angles	90.00, 108.38, 90.00

Refinement procedure

Resolution	22.760 - 1.570
R-factor	0.2127
Rwork	0.212
R-free	0.24560
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]	22.760	50.000	1.670
High resolution limit [Å]	1.570	4.700	1.570
Rmerge	0.059	0.030	2.767
Rmeas	0.064	0.032	2.980
Total number of observations	587718
Number of reflections	85042	3339	13213
<I/σ(I)>	13.76	60.28	0.5
Completeness [%]	98.3	0.995	0.948
Redundancy	6.899	7.39	6.74
CC(1/2)	0.999	0.999	0.338

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