3D8P

Crystal structure of acetyltransferase of GNAT family (NP_373092.1) from STAPHYLOCOCCUS AUREUS MU50 at 2.20 A resolution

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97867
Spacegroup name	I 4 2 2
Unit cell lengths	135.597, 135.597, 103.578
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.364 - 2.200
R-factor	0.174
Rwork	0.172
R-free	0.21800
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.445
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.364	28.360	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.127	0.055	0.882
Rmeas	0.137	0.060	0.948
Total number of observations	182046	1914	13379
Number of reflections	24768
<I/σ(I)>	5.146	10.5	0.9
Completeness [%]	100.0	96	100
Redundancy	7.4	6	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	24.0% polyethylene glycol 3350, 0.186M calcium acetate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K