7QLD

Crystal structure of S-layer protein SlpA from Lactobacillus acidophilus, domain I, Co-crystallization with HgCl2, Mutation Ser146Cys, (aa 32-198)

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	2018-05-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	P 65 2 2
Unit cell lengths	85.360, 85.360, 191.965
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.380 - 2.153
Rwork	0.219
R-free	0.26630
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.591
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.380	48.380	2.220
High resolution limit [Å]	2.150	8.870	2.150
Rmerge	0.041	0.029	0.859
Rmeas	0.045	0.033	0.947
Rpim	0.018	0.014	0.395
Number of reflections	23300	432	1948
<I/σ(I)>	25
Completeness [%]	99.9
Redundancy	10.4	7.4	10.6
CC(1/2)	0.999	0.999	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	Protein stock solution of 20 mg/mL in 20 mM Hepes pH 8 and 100 mM NaCl; JCSG+ screen condition 41 (0.2 M Sodium chloride, 0.1 M Sodium/potassium phosphate, pH 6.2, 50 % v/v PEG 200) with protein end concentration of 10 mg/mL corresponding to 50% of protein solution in the 1.0 uL drop and co-crystallization with 0.1 ul 2mM HgCl2