4D7W

Crystal structure of sortase C1 (SrtC1) from Streptococcus agalactiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-29
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 2
Unit cell lengths	37.560, 124.760, 45.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.920 - 1.950
R-factor	0.182
Rwork	0.180
R-free	0.22270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g1j
RMSD bond length	0.008
RMSD bond angle	1.032
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MrBUMP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.900	2.070
High resolution limit [Å]	1.950	1.950
Rmerge	0.050	0.600
Number of reflections	16211
<I/σ(I)>	15.7	1.8
Completeness [%]	98.6	97.2
Redundancy	3.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		9.7		0.05M TRI-SODIUM CITRATE, 0.05 M BIS-TRIS PROPANE PH 9.7, 16% PEG-3350