7FLS

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G02 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	87.983, 82.226, 93.447
Unit cell angles	90.00, 107.95, 90.00

Refinement procedure

Resolution	39.810 - 1.510
R-factor	0.2068
Rwork	0.206
R-free	0.23330
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]	39.810	39.810	39.810
High resolution limit [Å]	1.510	4.500	1.510
Rmerge		0.054	2.571
Rmeas	0.072	0.058	2.784
Total number of observations	690534	26399	108572
Number of reflections	99313	3821	15835
<I/σ(I)>	10.8	35.38	0.52
Completeness [%]	99.7	99.1	98.8
Redundancy	6.95	6.91	6.86
CC(1/2)	0.998	0.995	0.348

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