6WNC

Structure of the Rieske non-heme iron oxygenase GxtA

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	2018-07-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9787
Spacegroup name	P 1 21 1
Unit cell lengths	74.730, 96.932, 80.809
Unit cell angles	90.00, 106.97, 90.00

Refinement procedure

Resolution	38.650 - 2.200
R-factor	0.1954
Rwork	0.194
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wn3
RMSD bond length	0.011
RMSD bond angle	1.535
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]	40.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.186	0.477
Number of reflections	54048	5122
<I/σ(I)>	10.56	1.56
Completeness [%]	96.3	90.9
Redundancy	4.3	2.2
CC(1/2)	0.981	0.730

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