4WVH

Crystal structure of the Type-I signal peptidase from Staphylococcus aureus (SpsB) in complex with a substrate peptide (pep1).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-10
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	63.661, 80.193, 119.426
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.580 - 2.100
R-factor	0.2103
Rwork	0.208
R-free	0.24850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wvg
RMSD bond length	0.007
RMSD bond angle	1.174
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.580	19.770	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.319	0.046	2.622
Rpim	0.086	0.013	0.703
Total number of observations	534471	6244	43560
Number of reflections	36431
<I/σ(I)>	10	44.4	1.6
Completeness [%]	99.9	91.4	100
Redundancy		12.4	14.8
CC(1/2)	0.994	0.999	0.589

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		296	12 % PEG 8000, 20 % ethylene glycol, 100 mM sodium acetate pH 5.3 - 5.5