7FP8

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08H12 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	90.074, 81.838, 93.418
Unit cell angles	90.00, 108.47, 90.00

Refinement procedure

Resolution	40.920 - 1.590
R-factor	0.2129
Rwork	0.212
R-free	0.24660
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]	40.920	40.920	40.920
High resolution limit [Å]	1.590	4.740	1.590
Rmerge		0.029	2.886
Rmeas	0.063	0.031	3.121
Total number of observations	598445	22905	92934
Number of reflections	86545	3340	13740
<I/σ(I)>	13.29	57.54	0.43
Completeness [%]	99.6	99.4	98
Redundancy	6.91	6.86	6.76
CC(1/2)	0.999	0.999	0.296

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