7FK9

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04B12 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	88.001, 81.954, 94.210
Unit cell angles	90.00, 109.14, 90.00

Refinement procedure

Resolution	40.980 - 1.350
R-factor	0.2096
Rwork	0.209
R-free	0.23880
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]	40.980	40.980	40.980
High resolution limit [Å]	1.350	4.030	1.350
Rmerge		0.033	3.171
Rmeas	0.055	0.036	3.415
Total number of observations	953887	36723	147639
Number of reflections	132428	5263	20507
<I/σ(I)>	13.22	56.56	0.25
Completeness [%]	95.3	98.6	91.5
Redundancy	7.2	6.98	7.2
CC(1/2)	0.999	0.998	0.236

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