7FNB

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07A12 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	90.503, 81.480, 92.953
Unit cell angles	90.00, 108.47, 90.00

Refinement procedure

Resolution	44.080 - 1.550
R-factor	0.206
Rwork	0.205
R-free	0.23980
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]	44.080	44.080	44.080
High resolution limit [Å]	1.550	4.620	1.550
Rmerge		0.032	2.183
Rmeas	0.053	0.035	2.367
Total number of observations	635802	24243	99584
Number of reflections	92947	3590	14688
<I/σ(I)>	14.94	51.08	0.61
Completeness [%]	99.5	99.1	97.6
Redundancy	6.84	6.75	6.78
CC(1/2)	0.999	0.998	0.353

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