6WAE

Crystal Structure of 6X-His tagged SmcR

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	2018-03-15
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	78.161, 99.323, 129.528
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.920 - 2.130
R-factor	0.2129
Rwork	0.211
R-free	0.25530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kz9
RMSD bond length	0.006
RMSD bond angle	0.703
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]	78.820	2.160
High resolution limit [Å]	2.130	2.130
Rmeas	0.147	1.688
Rpim	0.055	0.684
Number of reflections	57324	2841
<I/σ(I)>	7.1	1.1
Completeness [%]	100.0	100
Redundancy	7.1	6
CC(1/2)	0.999	0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M of Lithium Sulfate, 0.1 M Imidazole buffer pH 7.6-8 and 6-10% PEG3350