3EC4

Crystal structure of Putative Acetyltransferase from the GNAT family (YP_497011.1) from NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 at 1.80 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-31
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97837
Spacegroup name	P 21 21 21
Unit cell lengths	44.523, 63.984, 143.149
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.210 - 1.800
R-factor	0.173
Rwork	0.171
R-free	0.21500
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.563
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]	29.210	29.210	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.104	0.064	0.505
Total number of observations		1539	10441
Number of reflections	38799
<I/σ(I)>	5.628	8.7	1.5
Completeness [%]	99.9	97.2	100
Redundancy	3.6	3.1	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.43	277	33.8% polyethylene glycol 4000, 0.2M sodium acetate, 0.1M TRIS pH 8.43, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K