7FP9

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09A12 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	2020-07-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	87.596, 81.898, 93.079
Unit cell angles	90.00, 107.97, 90.00

Refinement procedure

Resolution	44.270 - 1.900
R-factor	0.2486
Rwork	0.246
R-free	0.30600
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]	44.270	44.270	44.270
High resolution limit [Å]	1.900	5.650	1.900
Rmerge		0.037	3.144
Rmeas	0.088	0.040	3.413
Total number of observations	336792	13102	51135
Number of reflections	49417	1947	7725
<I/σ(I)>	9.78	36.49	0.61
Completeness [%]	99.3	99.5	96.4
Redundancy	6.82	6.73	6.62
CC(1/2)	0.999	0.998	0.380

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