7SZG

Structure of the Rieske Non-heme Iron Oxygenase GxtA Pressurized with Xenon

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	2.06633
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	48.470 - 2.690
R-factor	0.2067
Rwork	0.205
R-free	0.24360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wnc
RMSD bond length	0.011
RMSD bond angle	1.579
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	2.760
High resolution limit [Å]	2.690	2.690
Rmeas	0.141	1.393
Number of reflections	59952	4447
<I/σ(I)>	19.63	2.42
Completeness [%]	99.7	100
Redundancy	18.5	17.45
CC(1/2)	0.999	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293.15	0.3 M MgCl2, 0.1 M Bis-Tris pH 5.5, 25% v/v PEG3350, 15% v/v glycerol