7FLZ

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G11 from the F2X-Universal Library

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	2020-05-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.520, 82.009, 93.399
Unit cell angles	90.00, 108.26, 90.00

Refinement procedure

Resolution	44.350 - 1.520
R-factor	0.2199
Rwork	0.219
R-free	0.25840
Structure solution method	FOURIER SYNTHESIS
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	Aimless
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.350	44.350	44.350
High resolution limit [Å]	1.520	4.540	1.520
Rmerge		0.041	2.973
Rmeas	0.064	0.045	3.211
Total number of observations	643334	24877	96871
Number of reflections	95101	3731	14174
<I/σ(I)>	11.94	42.88	0.35
Completeness [%]	97.8	99.2	90.5
Redundancy	6.76	6.67	6.83
CC(1/2)	0.999	0.997	0.346

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	19% PEG4000, 3% DMSO, 0.1 M Tris, pH 8.5, 0.2 M lithium sulfate