4N31

Structure and activity of Streptococcus pyogenes SipA: a signal peptidase homologue essential for pilus polymerisation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	110
Detector technology	CCD
Collection date	2011-11-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.95468
Spacegroup name	P 64 2 2
Unit cell lengths	132.811, 132.811, 107.156
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.750 - 2.200
R-factor	0.20231
Rwork	0.201
R-free	0.22933
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k8w
RMSD bond length	0.011
RMSD bond angle	1.559
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.750	28.750	2.310
High resolution limit [Å]	2.200	6.940	2.200
Rmerge	0.127	0.030	3.655
Number of reflections	28860
<I/σ(I)>	28.3	107.5	1.3
Completeness [%]	99.5	98.7	97.5
Redundancy	42.7	38.1	41.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	1M NaKPO4 pH 7.0, 8% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 291K