7FLD

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05B11 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	89.598, 82.085, 93.983
Unit cell angles	90.00, 108.60, 90.00

Refinement procedure

Resolution	41.040 - 1.510
R-factor	0.2129
Rwork	0.212
R-free	0.24220
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]	41.040	41.040	41.040
High resolution limit [Å]	1.510	4.500	1.510
Rmerge		0.029	2.685
Rmeas	0.052	0.032	2.906
Total number of observations	702156	26908	109344
Number of reflections	101178	3895	16009
<I/σ(I)>	14.41	58.35	0.5
Completeness [%]	99.5	99.2	97.6
Redundancy	6.94	6.91	6.83
CC(1/2)	0.999	0.999	0.417

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