7FPF

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09E08 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	2020-07-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	87.459, 82.034, 93.528
Unit cell angles	90.00, 108.22, 90.00

Refinement procedure

Resolution	41.020 - 1.550
R-factor	0.227
Rwork	0.226
R-free	0.25840
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]	41.020	41.020	41.020
High resolution limit [Å]	1.550	4.620	1.550
Rmerge		0.029	3.105
Rmeas	0.052	0.031	3.355
Total number of observations	628867	23517	99791
Number of reflections	90939	3468	14507
<I/σ(I)>	13.18	59.82	0.31
Completeness [%]	99.6	98.5	98.8
Redundancy	6.92	6.78	6.88
CC(1/2)	0.999	0.999	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