5YXO

Crystal structure of shaft pilin spaD from Lactobacillus rhamnosus GG in bent conformation

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	2015-04-20
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95372
Spacegroup name	P 65 2 2
Unit cell lengths	73.720, 73.720, 428.659
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	71.550 - 2.510
R-factor	0.24325
Rwork	0.241
R-free	0.29095
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yu5 5yxg
RMSD bond length	0.006
RMSD bond angle	1.134
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]	71.550	2.705
High resolution limit [Å]	2.510	2.512
Rmerge	0.140	0.800
Rmeas	0.148	0.950
Rpim	0.048	0.466
Number of reflections	19138	957
<I/σ(I)>	10.6	1.4
Completeness [%]	89.6	45.5
Redundancy	9.1	3.6
CC(1/2)	0.997	0.278

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	30% PEG 1500