7FPA

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09C01 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	89.100, 81.639, 93.415
Unit cell angles	90.00, 108.10, 90.00

Refinement procedure

Resolution	42.340 - 1.860
R-factor	0.2292
Rwork	0.227
R-free	0.28880
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]	42.340	42.340	42.340
High resolution limit [Å]	1.860	5.550	1.860
Rmerge		0.033	2.507
Rmeas	0.057	0.036	2.719
Total number of observations	364711	13837	55499
Number of reflections	52902	2054	8363
<I/σ(I)>	14.56	50.23	0.73
Completeness [%]	99.5	98.9	97.8
Redundancy	6.89	6.74	6.64
CC(1/2)	0.999	0.998	0.474

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