7FOF

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08A10 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	2020-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.047, 82.056, 93.109
Unit cell angles	90.00, 107.84, 90.00

Refinement procedure

Resolution	41.030 - 1.770
R-factor	0.2458
Rwork	0.244
R-free	0.28980
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]	41.030	41.030	41.030
High resolution limit [Å]	1.770	5.270	1.770
Rmerge		0.030	2.153
Rmeas	0.060	0.033	2.332
Total number of observations	428319	16404	65993
Number of reflections	61581	2406	9802
<I/σ(I)>	15.11	56.45	0.65
Completeness [%]	99.7	99.3	98.5
Redundancy	6.96	6.82	6.73
CC(1/2)	0.999	0.999	0.351

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