3RZA

Crystal structure of a tripeptidase (SAV1512) from staphylococcus aureus subsp. aureus mu50 at 2.10 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97936,0.97911
Spacegroup name	P 1
Unit cell lengths	46.996, 57.805, 79.857
Unit cell angles	89.67, 73.38, 72.36

Refinement procedure

Resolution	29.517 - 2.100
R-factor	0.169
Rwork	0.167
R-free	0.21230
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.398
Data reduction software	XDS
Data scaling software	XSCALE (January 30)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.517	29.250	2.160
High resolution limit [Å]	2.100	4.490	2.090
Rmerge	0.139	0.042	0.657
Number of reflections	43307	8605	6269
<I/σ(I)>	4.89	11.6	1.4
Completeness [%]	88.6	94.4	73.4
Redundancy	1.99

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.43	293	20.0% 2-propanol, 20.0% polyethylene glycol 4000, 0.1M sodium citrate - citric acid pH 5.43, Additive: 0.006 M zinc chloride, 0.006 M calcium chloride, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K