7FLI

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05D09 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	88.093, 81.864, 93.191
Unit cell angles	90.00, 108.09, 90.00

Refinement procedure

Resolution	44.290 - 1.750
R-factor	0.2258
Rwork	0.224
R-free	0.26870
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]	44.290	44.290	44.290
High resolution limit [Å]	1.750	5.230	1.750
Rmerge		0.042	2.310
Rmeas	0.074	0.045	2.504
Total number of observations	429639	16535	65286
Number of reflections	62600	2448	9748
<I/σ(I)>	12.38	40.21	0.75
Completeness [%]	99.3	99.5	96.2
Redundancy	6.86	6.75	6.7
CC(1/2)	0.999	0.999	0.380

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