3DDD

Crystal structure of A Putative Acetyltransferase (NP_142035.1) from PYROCOCCUS HORIKOSHII at 2.25 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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
Spacegroup name	P 43 21 2
Unit cell lengths	113.673, 113.673, 70.756
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.037 - 2.250
R-factor	0.171
Rwork	0.168
R-free	0.22100
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.635
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.037	29.040	2.310
High resolution limit [Å]	2.250	10.060	2.250
Rmerge	0.129	0.060	0.815
Total number of observations		1725	12110
Number of reflections	22597
<I/σ(I)>	4.9	10.1	0.9
Completeness [%]	100.0	96	100
Redundancy	7.2	5.8	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.8M sodium citrate, 0.3M sodium chloride, 0.1M TRIS pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K