9FJL

Sulfolobus acidocaldarius NusA2 structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 32 2 1
Unit cell lengths	118.691, 118.691, 77.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.390 - 3.100
R-factor	0.2213
Rwork	0.220
R-free	0.24450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.351
Data reduction software	xia2 (CCP4 v8.0.012)
Data scaling software	Aimless (CCP4 v8.0.012)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.110	3.310
High resolution limit [Å]	3.100	3.100
Rmerge	0.119	0.267
Rmeas	0.124	0.378
Rpim	0.036	0.267
Number of reflections	11814	2124
<I/σ(I)>	16.2	1.2
Completeness [%]	100.0	100
Redundancy	11.6	12
CC(1/2)	0.999	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.9M sodium di-hydrogen phosphate/potassium di-hydrogen phosphate, 100mM Hepes pH 7.0 5mg/ml sample concentration