7FLH

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05D03 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	2020-05-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	86.679, 81.832, 93.348
Unit cell angles	90.00, 108.26, 90.00

Refinement procedure

Resolution	44.280 - 1.670
R-factor	0.2108
Rwork	0.210
R-free	0.24850
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]	44.280	44.280	44.280
High resolution limit [Å]	1.670	4.970	1.670
Rmerge		0.035	2.097
Rmeas	0.059	0.038	2.269
Total number of observations	495071	18840	76129
Number of reflections	71659	2781	11221
<I/σ(I)>	14.6	47.19	0.84
Completeness [%]	99.2	99.3	97
Redundancy	6.91	6.77	6.78
CC(1/2)	0.999	0.999	0.419

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