7FM6

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06A03 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	88.268, 81.759, 93.109
Unit cell angles	90.00, 107.99, 90.00

Refinement procedure

Resolution	41.980 - 1.550
R-factor	0.2145
Rwork	0.214
R-free	0.25030
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]	41.980	41.980	41.980
High resolution limit [Å]	1.550	4.620	1.550
Rmerge		0.036	3.050
Rmeas	0.065	0.039	3.305
Total number of observations	630193	24100	99411
Number of reflections	91383	3527	14545
<I/σ(I)>	11.72	48.64	0.43
Completeness [%]	99.7	99.6	98.7
Redundancy	6.9	6.83	6.83
CC(1/2)	0.999	0.999	0.263

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