7QFJ

Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain II (aa 194-362)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.94290
Spacegroup name	P 1 21 1
Unit cell lengths	65.679, 143.016, 73.441
Unit cell angles	90.00, 96.70, 90.00

Refinement procedure

Resolution	46.028 - 2.500
Rwork	0.206
R-free	0.24250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	RoseTTAfold ab initio prediction
RMSD bond length	0.006
RMSD bond angle	1.336
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]	48.630	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.084	0.600
Rmeas	0.100	0.715
Rpim	0.053	0.384
Number of reflections	46501	4625
<I/σ(I)>	17.1
Completeness [%]	99.9
Redundancy	6.8	6.7
CC(1/2)	0.998	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	Protein stock solution of 10 mg/mL in 20 mM Hepes pH 8 and 100 mM NaCl; Midas screen condition 50 (0.1M Tris, 50% v/v Pentaerythritol propoxylate (5/4 PO/OH)) with protein end concentration of 5 mg/mL corresponding to 50% of protein solution in the 1.0 uL drop, co-crystallization with 0.1 ul 2mM HgCl2