3HRM

Crystal structure of Staphylococcus aureus protein SarZ in sulfenic acid form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97935
Spacegroup name	P 21 21 21
Unit cell lengths	45.400, 54.030, 113.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.420 - 2.300
Rwork	0.238
R-free	0.28600
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.095
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.13)
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.420	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.082	0.732
Number of reflections	12976
<I/σ(I)>	31.722
Completeness [%]	99.9	99.7
Redundancy	6.9	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	25% PEG 3350, 0.1 M BIS-TRIS, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K