7QFK

Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain II, Co-Crystallization with HgCl2, Mutation Ser316Cys (aa 194-362)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-17
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.96546
Spacegroup name	P 21 21 21
Unit cell lengths	63.166, 98.875, 155.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.980 - 2.480
R-factor	0.20312
Rwork	0.202
R-free	0.23097
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MR model calculated with RoseTTAFold
RMSD bond length	0.013
RMSD bond angle	1.547
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.980	2.573
High resolution limit [Å]	2.480	2.484
Number of reflections	34927	3313
<I/σ(I)>	12.75
Completeness [%]	99.5
Redundancy	12.4
CC(1/2)	0.998	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	Protein stock solution of 10 mg/mL in 20 mM Hepes pH 8 and 100 mM NaCl; Index screen condition H12 (0.15 M Potassium bromide, 30% w/v Polyethylene glycol monomethyl ether 2,000) with protein end concentration of 5 mg/mL corresponding to 50% of protein solution in the 1.0 uL drop