7FOL

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C01 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	2020-05-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.589, 81.881, 93.446
Unit cell angles	90.00, 108.46, 90.00

Refinement procedure

Resolution	42.010 - 1.550
R-factor	0.2124
Rwork	0.211
R-free	0.25440
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]	42.010	42.010	42.010
High resolution limit [Å]	1.550	4.620	1.550
Rmerge		0.037	2.950
Rmeas	0.065	0.040	3.195
Total number of observations	635973	24343	99628
Number of reflections	91785	3530	14571
<I/σ(I)>	12.18	47.76	0.49
Completeness [%]	99.6	99.2	98.3
Redundancy	6.93	6.9	6.84
CC(1/2)	0.999	0.998	0.289

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