3RUY

Crystal Structure of the Ornithine-oxo acid transaminase RocD from Bacillus anthracis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	110
Detector technology	CCD
Collection date	2011-02-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	70.120, 98.291, 126.783
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.980 - 2.650
R-factor	0.1976
Rwork	0.196
R-free	0.23210
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.748
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		2.740
High resolution limit [Å]	2.650	2.650
Rmerge	0.057	0.578
Number of reflections	25718
<I/σ(I)>	27.3	2.1
Completeness [%]	97.6	81.6
Redundancy	5.8	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	20% PEG3350, 12.5mM suberic acid, 12.5mM sebacic acid, 12.5mM hexadecanedioic acid, 12.5mM dodecanedioic acid, 40% ethanol, 100mM HEPES, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K