7TE2

Crystal Structure of AerR from Rhodobacter capsulatus at 2.25 A.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2019-05-02
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 61 2 2
Unit cell lengths	63.939, 63.939, 182.298
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.320 - 2.250
R-factor	0.2311
Rwork	0.230
R-free	0.25900
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	1.273
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.320	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.104	1.804
Rmeas	0.107	1.861
Rpim	0.024	0.451
Number of reflections	11257	1005
<I/σ(I)>	20.6	1.7
Completeness [%]	100.0	100
Redundancy	19.3	16.8
CC(1/2)	0.999	0.687

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	HEPES pH 7.8, NaCl 3.2 M, 1,6-Hexanediol 8%