7FLW

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G07 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	87.647, 82.000, 93.836
Unit cell angles	90.00, 107.87, 90.00

Refinement procedure

Resolution	44.710 - 1.550
R-factor	0.2206
Rwork	0.220
R-free	0.25510
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]	44.710	44.710	44.710
High resolution limit [Å]	1.550	4.620	1.550
Rmerge		0.031	2.796
Rmeas	0.054	0.033	3.018
Total number of observations	635370	24329	100190
Number of reflections	91449	3527	14510
<I/σ(I)>	13.04	57.24	0.36
Completeness [%]	99.5	99.4	98.4
Redundancy	6.95	6.9	6.9
CC(1/2)	0.999	0.999	0.319

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