4WVG

Crystal structure of the Type-I signal peptidase from Staphylococcus aureus (SpsB).

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	2013-03-25
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	57.683, 63.565, 79.892
Unit cell angles	90.00, 92.59, 90.00

Refinement procedure

Resolution	19.440 - 2.050
R-factor	0.1921
Rwork	0.190
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1anf
RMSD bond length	0.007
RMSD bond angle	1.160
Data scaling software	XDS
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.440	19.440	2.110
High resolution limit [Å]	2.050	8.940	2.050
Rmerge	0.211	0.027	1.577
Rpim	0.082	0.011	0.608
Total number of observations	275184	2937	21095
Number of reflections	36318
<I/σ(I)>	10.1	59.2	1.4
Completeness [%]	99.8	91.1	99.8
Redundancy	7.6	6.9	7.6
CC(1/2)	0.994	0.999	0.528

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	12 % PEG 8000, 20 % ethylene glycol, 0.2 M amino acids mix (0.2 M sodium-L-glutamate, 0.2 M DL-alanine, 0.2 M glycine, 0.2 M DL-lysine, 0.2 M DL-serine), 100 mM Tris.Cl pH 8.5