7FKX

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04G02 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	2020-06-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	89.185, 82.332, 92.957
Unit cell angles	90.00, 107.83, 90.00

Refinement procedure

Resolution	43.870 - 1.850
R-factor	0.2323
Rwork	0.231
R-free	0.27520
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]	43.870	43.870	43.870
High resolution limit [Å]	1.850	5.530	1.850
Rmerge		0.044	2.671
Rmeas	0.087	0.047	2.918
Total number of observations	357038	14110	50410
Number of reflections	53494	2104	8340
<I/σ(I)>	10.46	33.53	0.76
Completeness [%]	98.6	99.6	95.3
Redundancy	6.67	6.71	6.04
CC(1/2)	0.998	0.998	0.363

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