3H4Q

Crystal structure of putative acetyltransferase (NP_371943.1) from STAPHYLOCOCCUS AUREUS MU50 at 2.50 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	2009-01-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97949,0.97964
Spacegroup name	P 31 2 1
Unit cell lengths	84.489, 84.489, 69.685
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.661 - 2.500
R-factor	0.22
Rwork	0.219
R-free	0.25300
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.650
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.661	27.660	2.560
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.056	0.033	0.779
Total number of observations		578	4064
Number of reflections	10262
<I/σ(I)>	9.491	17.7	1
Completeness [%]	99.9	94.5	100
Redundancy	5.4	4.4	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.93	293	32.5000% polyethylene glycol 600, 5.0000% polyethylene glycol 1000, 10.0000% Glycerol, 0.1M MES pH 5.93, Additive: 0.001 M acetyl Coenzyme A, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K