7FOC

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08A01 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	2020-05-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	87.344, 85.988, 93.415
Unit cell angles	90.00, 110.95, 90.00

Refinement procedure

Resolution	40.480 - 1.900
R-factor	0.2037
Rwork	0.202
R-free	0.24830
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]	40.480	40.480	40.480
High resolution limit [Å]	1.900	5.650	1.900
Rmerge		0.036	0.414
Rmeas	0.054	0.039	0.447
Total number of observations	353938	13266	54693
Number of reflections	49842	1975	7830
<I/σ(I)>	22.94	50.9	4.69
Completeness [%]	97.4	98.3	95.2
Redundancy	7.1	6.72	6.99
CC(1/2)	0.999	0.998	0.934

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