6WAI

Crystal Structure of SmcR N142D 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	2018-08-16
Detector	RDI CMOS_8M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	78.021, 99.565, 129.469
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.920 - 2.583
R-factor	0.234
Rwork	0.231
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kz9
RMSD bond length	0.003
RMSD bond angle	0.662
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]	78.920	2.660
High resolution limit [Å]	2.580	2.580
Rmeas	0.179	1.759
Rpim	0.067	0.673
Number of reflections	32305	1592
<I/σ(I)>	10.1	1.3
Completeness [%]	100.0	100
Redundancy	7.1	6.9
CC(1/2)	0.998	0.626

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