5R08

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry A07, 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	88.682, 82.264, 93.701
Unit cell angles	90.00, 108.65, 90.00

Refinement procedure

Resolution	29.180 - 1.700
R-factor	0.2123
Rwork	0.211
R-free	0.26160
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]	29.180	50.000	1.800
High resolution limit [Å]	1.700	5.070	1.700
Rmerge	0.048	0.027	3.623
Rmeas	0.052	0.029	3.913
Total number of observations	480641
Number of reflections	70011	2709	11273
<I/σ(I)>	16.33	69.52	0.53
Completeness [%]	99.8	0.993	0.995
Redundancy	6.855	7.24	6.97
CC(1/2)	1.000	0.999	0.253

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