3G7Q

Crystal structure of valine-pyruvate aminotransferase AvtA (NP_462565.1) from Salmonella typhimurium LT2 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	2008-11-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97874, 0.97828
Spacegroup name	P 61 2 2
Unit cell lengths	92.280, 92.280, 227.330
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.280 - 1.800
R-factor	0.17886
Rwork	0.178
R-free	0.19577
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.589
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.285	29.290	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.066	0.040	0.943
Number of reflections	53916	10123	9237
<I/σ(I)>	14.25	38.2	1.8
Completeness [%]	99.8	99.7	98.2
Redundancy	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	277	NANODROP, 40.0% Ethylene glycol, 0.1M Acetate pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K