7FNK

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07C12 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	89.440, 81.876, 93.375
Unit cell angles	90.00, 108.45, 90.00

Refinement procedure

Resolution	40.940 - 1.570
R-factor	0.2175
Rwork	0.217
R-free	0.25150
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]	40.940	40.940	40.940
High resolution limit [Å]	1.570	4.670	1.560
Rmerge		0.049	2.296
Rmeas	0.076	0.053	2.488
Total number of observations	588953	22843	91137
Number of reflections	89120	3455	13650
<I/σ(I)>	11.14	35.71	0.51
Completeness [%]	98.8	99.4	93.9
Redundancy	6.61	6.61	6.68
CC(1/2)	0.998	0.996	0.425

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