6WAG

Crystal Structure of SmcR S76A 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	78.041, 99.039, 129.679
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.418 - 2.575
R-factor	0.2474
Rwork	0.245
R-free	0.29860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kz9
RMSD bond length	0.004
RMSD bond angle	0.633
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]	64.840	2.650
High resolution limit [Å]	2.570	2.570
Rmeas	0.172	1.694
Rpim	0.067	0.672
Number of reflections	32493	1598
<I/σ(I)>	10.2	1.3
Completeness [%]	99.9	100
Redundancy	6.5	6.3
CC(1/2)	0.998	0.673

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