7FP2

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08F10 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	2020-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	89.106, 81.407, 92.804
Unit cell angles	90.00, 108.13, 90.00

Refinement procedure

Resolution	44.100 - 1.640
R-factor	0.2018
Rwork	0.200
R-free	0.25270
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]	44.100	44.100	44.100
High resolution limit [Å]	1.640	4.890	1.640
Rmerge		0.042	3.350
Rmeas	0.077	0.046	3.637
Total number of observations	519517	20073	76965
Number of reflections	76455	2998	11604
<I/σ(I)>	10.67	39.35	0.39
Completeness [%]	98.8	99.6	93.2
Redundancy	6.8	6.7	6.63
CC(1/2)	0.999	0.998	0.248

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