4K1S

Gly-Ser-SplB protease from Staphylococcus aureus at 1.96 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Wavelength(s)	1.000
Spacegroup name	P 41 21 2
Unit cell lengths	117.900, 117.900, 73.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.970 - 1.960
R-factor	0.19468
Rwork	0.192
R-free	0.24676
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w7s
RMSD bond length	0.020
RMSD bond angle	2.042
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	22.970
High resolution limit [Å]	1.960
Number of reflections	32322

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1M Tris pH 8.5, 25% w/v Polyethylene glycol 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K