6WN3

Structure of the Rieske non-heme iron oxygenase SxtT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-05
Detector	RAYONIX MX-300
Wavelength(s)	0.9786
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	29.920 - 1.860
R-factor	0.1716
Rwork	0.170
R-free	0.19750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gke
RMSD bond length	0.007
RMSD bond angle	0.977
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]	29.920	1.930
High resolution limit [Å]	1.860	1.860
Rmerge	0.074	0.907
Number of reflections	117637	11615
<I/σ(I)>	25.64	2.36
Completeness [%]	99.9	99.78
Redundancy	7.6	7.5
CC(1/2)	0.996	0.853

Crystallization Conditions

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