3CSW

Crystal structure of a putative branched-chain amino acid aminotransferase (TM0831) from Thermotoga maritima at 2.15 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97961, 0.97975
Spacegroup name	I 21 21 21
Unit cell lengths	107.710, 129.760, 298.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.748 - 2.150
R-factor	0.168
Rwork	0.167
R-free	0.20000
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.508
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]	29.748	29.748	2.230
High resolution limit [Å]	2.150	4.610	2.150
Rmerge	0.073	0.024	0.657
Number of reflections	111860	21163	21162
<I/σ(I)>	8.94	29.1	1.2
Completeness [%]	97.1	94.6	92.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.03	277	NANODROP, 52.0% 2-methyl-2,4-pentanediol, 0.1M Citric acid pH 4.03, VAPOR DIFFUSION, SITTING DROP, temperature 277K