7FMQ

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06E04 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	87.323, 85.687, 93.283
Unit cell angles	90.00, 110.54, 90.00

Refinement procedure

Resolution	44.060 - 1.580
R-factor	0.2204
Rwork	0.220
R-free	0.24070
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]	44.060	44.060	44.060
High resolution limit [Å]	1.580	4.710	1.580
Rmerge		0.039	2.327
Rmeas	0.092	0.043	2.511
Total number of observations	610952	23049	95907
Number of reflections	87510	3402	13799
<I/σ(I)>	12.54	45.54	0.7
Completeness [%]	99.0	99.6	97.2
Redundancy	6.98	6.78	6.95
CC(1/2)	0.999	0.998	0.278

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