5YXG

Crystal structure of C-terminal fragment of SpaD from Lactobacillus rhamnosus GG generated by limited proteolysis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95371
Spacegroup name	P 21 21 21
Unit cell lengths	50.106, 83.160, 149.403
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.660 - 1.480
R-factor	0.17807
Rwork	0.177
R-free	0.19534
Structure solution method	SAD
Starting model (for MR)	5yu5
RMSD bond length	0.012
RMSD bond angle	1.201
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	autoSHARP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.660	1.620
High resolution limit [Å]	1.480	1.480
Rmerge	0.063	0.536
Rmeas	0.070	0.596
Rpim	0.029	0.253
Number of reflections	104530	24710
<I/σ(I)>	15.6	3.2
Completeness [%]	99.8	99.8
Redundancy	5.3	5.2
CC(1/2)	0.999	0.813

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M ammonium chloride 20% w/v PEG 3350