6WAF

Crystal Structure of SmcR N55I from Vibrio vulnificus

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	2017-12-07
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	C 1 2 1
Unit cell lengths	167.568, 57.921, 78.108
Unit cell angles	90.00, 109.83, 90.00

Refinement procedure

Resolution	46.375 - 3.381
R-factor	0.2696
Rwork	0.269
R-free	0.29340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kz9
RMSD bond length	0.004
RMSD bond angle	0.700
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]	46.380	3.500
High resolution limit [Å]	3.380	3.380
Rmeas	0.168	1.476
Rpim	0.090	0.815
Number of reflections	9974	2051
<I/σ(I)>	6.4	1.1
Completeness [%]	98.9	99.4
Redundancy	3.4	3.3
CC(1/2)	0.996	0.605

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