8AOL

Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain III (aa 363-499)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 62 2 2
Unit cell lengths	133.174, 133.174, 70.572
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.432 - 2.400
Rwork	0.178
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8alu
RMSD bond length	0.015
RMSD bond angle	1.777
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.432	48.430	2.490
High resolution limit [Å]	2.400	8.980	2.400
Rmerge	0.198	0.092	1.516
Rmeas	0.209	0.097	1.596
Rpim	0.065	0.031	0.496
Number of reflections	14935	349	1518
<I/σ(I)>	10.1
Completeness [%]	100.0
Redundancy	19.1	15.8	19.4
CC(1/2)	0.997	0.997	0.844

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; Wizard 1/2 screen condition 66 (20 % w/v PEG 3000, 200 mM Ca(OAc)2, 100 mM Tris base/HCl pH 7.0) with protein end concentration of 5 mg/mL corresponding to 50% of protein solution in the 1.0 uL drop