7FLG

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05D01 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	87.736, 82.223, 93.585
Unit cell angles	90.00, 108.06, 90.00

Refinement procedure

Resolution	44.660 - 1.580
R-factor	0.2219
Rwork	0.221
R-free	0.25070
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]	44.660	44.660	44.660
High resolution limit [Å]	1.580	4.700	1.570
Rmerge		0.040	3.958
Rmeas	0.083	0.044	4.290
Total number of observations	596939	23227	90593
Number of reflections	86575	3371	13305
<I/σ(I)>	10.24	42.98	0.46
Completeness [%]	99.0	99.6	94.4
Redundancy	6.9	6.89	6.81
CC(1/2)	0.999	0.999	0.259

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