7FK5

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A12 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	2020-06-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	89.045, 82.036, 93.428
Unit cell angles	90.00, 108.29, 90.00

Refinement procedure

Resolution	41.020 - 1.530
R-factor	0.206
Rwork	0.206
R-free	0.22700
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]	41.020	41.020	41.020
High resolution limit [Å]	1.530	4.550	1.520
Rmerge		0.034	2.498
Rmeas	0.057	0.037	2.694
Total number of observations	663616	25588	101891
Number of reflections	95092	3732	14598
<I/σ(I)>	13.98	53.55	0.42
Completeness [%]	97.9	99.3	93.5
Redundancy	6.98	6.86	6.98
CC(1/2)	0.999	0.998	0.349

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