7SZH

Structure of the Rieske Non-heme Iron Oxygenase SxtT with beta-saxitoxinol Bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 2 2 2
Unit cell lengths	153.282, 158.470, 115.839
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.630 - 1.790
R-factor	0.1721
Rwork	0.171
R-free	0.19850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wn3
RMSD bond length	0.007
RMSD bond angle	0.918
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.790	1.790
Rmeas	0.068	1.702
Number of reflections	129304	20590
<I/σ(I)>	22.05	1.86
Completeness [%]	98.5	97.8
Redundancy	13.7	13.4
CC(1/2)	1.000	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293.15	2.0 M (NH4)2SO4, 0.1 M Bis-Tris pH 6.5, 10% v/v glycerol, 20 mM beta-saxitoxin