9F9U

Crystal structure of Saccharolobus solfataricus NusA2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-10
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	1.2826
Spacegroup name	P 1 21 1
Unit cell lengths	35.467, 72.813, 41.746
Unit cell angles	90.00, 111.95, 90.00

Refinement procedure

Resolution	38.720 - 1.680
R-factor	0.2173
Rwork	0.216
R-free	0.23560
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.012
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXDE
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.880	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.060	1.086
Rmeas	0.065	1.199
Rpim	0.025	0.493
Number of reflections	21422	1683
<I/σ(I)>	16.6	1.3
Completeness [%]	95.3	75.3
Redundancy	6.7
CC(1/2)	0.999	0.462

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	10% w/v PEG 20,000, 2% v/v 1,4-dioxane, 100 mM Bicine pH 9.0