7FLK

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05E08 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	89.443, 82.058, 93.476
Unit cell angles	90.00, 108.42, 90.00

Refinement procedure

Resolution	41.030 - 1.620
R-factor	0.2072
Rwork	0.206
R-free	0.23900
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]	41.030	41.030	41.030
High resolution limit [Å]	1.620	4.820	1.610
Rmerge		0.036	2.413
Rmeas	0.061	0.039	2.613
Total number of observations	563082	21802	85890
Number of reflections	81711	3179	12736
<I/σ(I)>	12.93	45.66	0.53
Completeness [%]	99.3	99.4	96.5
Redundancy	6.89	6.86	6.74
CC(1/2)	0.999	0.998	0.328

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