7FKM

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E03 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	89.043, 81.773, 92.979
Unit cell angles	90.00, 108.26, 90.00

Refinement procedure

Resolution	44.150 - 1.530
R-factor	0.2112
Rwork	0.211
R-free	0.23940
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]	44.150	44.150	44.150
High resolution limit [Å]	1.530	4.550	1.520
Rmerge		0.035	2.975
Rmeas	0.067	0.038	3.217
Total number of observations	643632	24919	98506
Number of reflections	95457	3711	14619
<I/σ(I)>	12.04	48.08	0.35
Completeness [%]	98.9	99.4	94.1
Redundancy	6.74	6.71	6.74
CC(1/2)	0.999	0.999	0.272

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