2AJ6

Crystal structure of a putative gnat family acetyltransferase (mw0638) from staphylococcus aureus subsp. aureus at 1.63 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	2005-06-05
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97934
Spacegroup name	I 2 2 2
Unit cell lengths	40.058, 74.856, 90.716
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.870 - 1.630
Rwork	0.181
R-free	0.21700
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.586
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.870	28.870	1.670
High resolution limit [Å]	1.500	7.290	1.630
Rmerge	0.056	0.062	0.551
Number of reflections	17165
<I/σ(I)>	4.9	4.6	1.4
Completeness [%]	98.6
Redundancy	3.5	3.1	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	5.9	277	0.2M MgSO4, 20.0% PEG-3350, No Buffer, pH 5.9, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K