6WND

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2019-08-10
Detector	RAYONIX MX-300
Wavelength(s)	0.9787
Spacegroup name	P 1 21 1
Unit cell lengths	74.578, 96.976, 80.409
Unit cell angles	90.00, 107.24, 90.00

Refinement procedure

Resolution	41.470 - 2.180
R-factor	0.1737
Rwork	0.168
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wnc
RMSD bond length	0.008
RMSD bond angle	0.970
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]	41.470	2.260
High resolution limit [Å]	2.180	2.182
Rmerge	0.090	0.755
Number of reflections	56610	5402
<I/σ(I)>	15.3	1.84
Completeness [%]	99.4	94.59
Redundancy	3.8
CC(1/2)	0.995	0.607

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.3 M MgCl2, 0.1 M Bis-Tris pH 5.5, 25% v/v PEG3350, 15% v/v glycerol