7FNG

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07B12 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	89.327, 82.026, 93.800
Unit cell angles	90.00, 108.32, 90.00

Refinement procedure

Resolution	42.400 - 1.600
R-factor	0.2257
Rwork	0.225
R-free	0.26370
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]	42.400	42.400	42.400
High resolution limit [Å]	1.600	4.770	1.600
Rmerge		0.041	3.396
Rmeas	0.063	0.044	3.672
Total number of observations	564001	21576	83837
Number of reflections	83252	3267	12463
<I/σ(I)>	12.3	42.53	0.33
Completeness [%]	98.2	99.3	91.7
Redundancy	6.77	6.6	6.73
CC(1/2)	0.999	0.997	0.254

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