5QYF

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry F02a

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	88.215, 81.984, 93.727
Unit cell angles	90.00, 108.48, 90.00

Refinement procedure

Resolution	44.610 - 1.490
R-factor	0.2232
Rwork	0.222
R-free	0.22324
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.013
RMSD bond angle	1.532
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]	44.610	50.000	1.580
High resolution limit [Å]	1.490	4.440	1.490
Rmerge	0.086	0.067	2.392
Rmeas	0.093	0.073	2.577
Total number of observations	718596
Number of reflections	96495	3988	15952
<I/σ(I)>	8.57	28.81	0.28
Completeness [%]	98.0	0.995	0.953
Redundancy	7.066	6.92	6.73
CC(1/2)	0.997	0.993	0.378

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