7TXM

Oxidized Structure of RexT

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	2020-11-11
Detector	RAYONIX MX-300
Wavelength(s)	0.97857
Spacegroup name	P 64
Unit cell lengths	100.460, 100.460, 36.048
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.880 - 2.160
R-factor	0.2058
Rwork	0.200
R-free	0.25580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7txo
RMSD bond length	0.009
RMSD bond angle	1.151
Data reduction software	XDS
Data scaling software	XDS (1.19.2_4158)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.880	2.220
High resolution limit [Å]	2.160	2.160
Rmerge	0.104	1.431
Number of reflections	11404	1145
<I/σ(I)>	19.44
Completeness [%]	99.9
Redundancy	12.9
CC(1/2)	0.999	0.712

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10 mM MES, pH 6.3, 0.2 M ammonium chloride, 20% v/v PEG3350, 24-32% v/v glycerol, hydrogen peroxide