7FOT

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08D03 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	88.948, 81.527, 93.332
Unit cell angles	90.00, 108.53, 90.00

Refinement procedure

Resolution	40.760 - 1.560
R-factor	0.2116
Rwork	0.211
R-free	0.24120
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]	40.760	40.760	40.760
High resolution limit [Å]	1.560	4.660	1.560
Rmerge		0.045	2.582
Rmeas	0.072	0.049	2.801
Total number of observations	596886	22778	90677
Number of reflections	88564	3428	13537
<I/σ(I)>	11.33	38.74	0.49
Completeness [%]	98.9	99.4	93.9
Redundancy	6.74	6.64	6.7
CC(1/2)	0.999	0.997	0.384

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