7F87

Crystal structure of housekeeping sortase SrtA bound with self derived tripeptide from Lactobacillus rhamnosus GG

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	2016-02-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	34.608, 55.674, 75.312
Unit cell angles	90.00, 103.22, 90.00

Refinement procedure

Resolution	73.320 - 1.690
R-factor	0.18307
Rwork	0.181
R-free	0.21368
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fn5
RMSD bond length	0.008
RMSD bond angle	1.315
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]	73.320	1.865
High resolution limit [Å]	1.686	1.686
Rmerge	0.103	1.151
Rpim	0.061	0.674
Number of reflections	23044	1153
<I/σ(I)>	9.9	1.3
Completeness [%]	90.0
Redundancy	3.8
CC(1/2)	0.998	0.476

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	295	0.05 M Citric Bis-Tris Propane, pH 5.0 and 16% (w/v) PEG 3350