7FP5

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08G04 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	2020-05-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	89.034, 82.035, 93.536
Unit cell angles	90.00, 108.29, 90.00

Refinement procedure

Resolution	44.410 - 1.530
R-factor	0.2113
Rwork	0.211
R-free	0.23640
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]	44.410	44.410	44.410
High resolution limit [Å]	1.530	4.540	1.520
Rmerge		0.040	2.771
Rmeas	0.062	0.044	3.005
Total number of observations	655647	25151	98835
Number of reflections	96716	3747	14743
<I/σ(I)>	12.67	41.91	0.59
Completeness [%]	98.9	99.1	93.8
Redundancy	6.78	6.71	6.7
CC(1/2)	0.999	0.997	0.361

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