2ORD

Crystal structure of Acetylornithine aminotransferase (EC 2.6.1.11) (ACOAT) (TM1785) from Thermotoga maritima at 1.40 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	2006-12-17
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97937, 0.97876
Spacegroup name	P 21 21 21
Unit cell lengths	90.948, 95.628, 96.089
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.796 - 1.400
R-factor	0.149
Rwork	0.148
R-free	0.17000
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.415
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.796		1.450
High resolution limit [Å]	1.400	2.390	1.400
Rmerge	0.067	0.048	0.454
Number of reflections	137451
<I/σ(I)>	10.89	19.8	2.1
Completeness [%]	82.3	98.1	33.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	NANODROP, 1.6M Sodium citrate, 0.1M Cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K