5R0B

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C05, 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	87.832, 82.009, 93.331
Unit cell angles	90.00, 108.52, 90.00

Refinement procedure

Resolution	21.880 - 1.820
R-factor	0.2282
Rwork	0.227
R-free	0.26360
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]	21.880	50.000	1.930
High resolution limit [Å]	1.820	5.420	1.820
Rmerge	0.068	0.029	2.354
Rmeas	0.074	0.032	2.546
Total number of observations	384046
Number of reflections	56200	2194	8877
<I/σ(I)>	13.87	58.18	0.69
Completeness [%]	99.5	0.992	0.976
Redundancy	6.824	7.29	6.68
CC(1/2)	0.999	0.999	0.383

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