7FLR

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G01 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	87.991, 82.033, 93.310
Unit cell angles	90.00, 108.09, 90.00

Refinement procedure

Resolution	41.020 - 1.630
R-factor	0.222
Rwork	0.221
R-free	0.26760
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]	41.020	41.020	41.020
High resolution limit [Å]	1.630	4.860	1.630
Rmerge		0.034	3.117
Rmeas	0.075	0.037	3.371
Total number of observations	543948	20893	85266
Number of reflections	78671	3044	12512
<I/σ(I)>	11.18	47.96	0.47
Completeness [%]	99.6	99.4	98.5
Redundancy	6.91	6.86	6.81
CC(1/2)	0.999	0.999	0.297

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