6WNB

Structure of the Rieske non-heme iron oxygenase SxtT with dideoxysaxitoxin bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	C 2 2 2
Unit cell lengths	152.276, 159.577, 115.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.160 - 2.100
R-factor	0.1704
Rwork	0.168
R-free	0.20750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wn3
RMSD bond length	0.008
RMSD bond angle	0.971
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.160	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.087	0.436
Number of reflections	81796	8066
<I/σ(I)>	15.8	2.07
Completeness [%]	98.4
Redundancy	4.7
CC(1/2)	0.984	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.0 M (NH4)2SO4, 0.1 M Bis-Tris pH 6.5, 10% v/v glycerol