5Z24

Crystal structure of shaft pilin spaD from Lactobacillus rhamnosus GG - K365A mutant

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	2016-07-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	50.821, 74.886, 403.652
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	201.830 - 2.400
R-factor	0.24245
Rwork	0.241
R-free	0.27558
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yu5
RMSD bond length	0.009
RMSD bond angle	1.279
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	201.830	2.560
High resolution limit [Å]	2.400	2.400
Rmerge	0.047	0.432
Rmeas	0.051	0.478
Rpim	0.020	0.283
Number of reflections	35611	1782
<I/σ(I)>	21.2	3.6
Completeness [%]	91.5	80.8
Redundancy	7	5.2
CC(1/2)	0.999	0.958

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M Magnesium acetate, 0.1M HEPES pH 7.5, 15% w/v PEG 400