7NSF

Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with triphosphate and magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.972
Spacegroup name	P 41 21 2
Unit cell lengths	61.029, 61.029, 136.619
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.150 - 2.000
R-factor	0.2082
Rwork	0.206
R-free	0.23910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ns9
RMSD bond length	0.009
RMSD bond angle	1.160
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.150	2.071
High resolution limit [Å]	2.000	2.000
Number of reflections	18208	1778
<I/σ(I)>	17.55
Completeness [%]	98.9
Redundancy	2
CC(1/2)	1.000	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	Reservoir: 0.2 M NaCl, 0.1 M Na/KPO4 pH 6.2, 20% (w/v) PEG 1000 Protein Buffer: 200 mM NaCl, 50 mM Tris, pH 9.0