7FMN

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06D11 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	88.175, 81.588, 92.990
Unit cell angles	90.00, 108.11, 90.00

Refinement procedure

Resolution	44.520 - 1.600
R-factor	0.2138
Rwork	0.213
R-free	0.25440
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]	44.520	44.520	44.520
High resolution limit [Å]	1.600	4.780	1.600
Rmerge		0.046	2.948
Rmeas	0.081	0.050	3.202
Total number of observations	543565	20871	83153
Number of reflections	81512	3177	12591
<I/σ(I)>	10.76	36.69	0.55
Completeness [%]	99.1	99.6	95
Redundancy	6.67	6.57	6.6
CC(1/2)	0.998	0.997	0.355

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