7FMD

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06B12 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	89.391, 81.534, 93.004
Unit cell angles	90.00, 108.45, 90.00

Refinement procedure

Resolution	44.110 - 1.680
R-factor	0.2335
Rwork	0.232
R-free	0.27340
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]	44.110	44.110	44.110
High resolution limit [Å]	1.680	5.000	1.680
Rmerge		0.035	2.979
Rmeas	0.071	0.038	3.247
Total number of observations	474674	19286	68721
Number of reflections	70960	2812	10938
<I/σ(I)>	11.77	43.82	0.58
Completeness [%]	97.5	99.4	93.4
Redundancy	6.69	6.86	6.28
CC(1/2)	0.999	0.999	0.253

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