7FLB

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05A10 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	89.592, 82.079, 93.849
Unit cell angles	90.00, 108.34, 90.00

Refinement procedure

Resolution	41.040 - 1.570
R-factor	0.2204
Rwork	0.220
R-free	0.25400
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]	1.570	4.660	1.560
Rmerge		0.041	2.106
Rmeas	0.073	0.045	2.274
Total number of observations	599055	23475	89856
Number of reflections	88839	3521	13077
<I/σ(I)>	12.44	40.49	0.64
Completeness [%]	96.9	99.4	88.8
Redundancy	6.74	6.67	6.87
CC(1/2)	0.999	0.998	0.408

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