6WAH

Crystal Structure of SmcR L139R 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	2018-11-08
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	77.971, 98.998, 129.106
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.218 - 2.550
R-factor	0.2315
Rwork	0.228
R-free	0.30310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kz9
RMSD bond length	0.008
RMSD bond angle	0.856
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]	46.220	2.630
High resolution limit [Å]	2.550	2.550
Rmeas	0.373	1.512
Rpim	0.155	0.588
Number of reflections	33302	4024
<I/σ(I)>	7.7	1.7
Completeness [%]	99.9	99.9
Redundancy	6.6	6.3
CC(1/2)	0.980	0.786

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