4JFR

Crystal structure of anabolic ornithine carbamoyltransferase from Vibrio vulnificus in complex with carbamoyl phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGT
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	81.343, 80.916, 177.637
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.960 - 2.170
R-factor	0.1726
Rwork	0.171
R-free	0.20540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h31
RMSD bond length	0.016
RMSD bond angle	1.669
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.210
High resolution limit [Å]	2.170	5.890	2.170
Rmerge	0.072	0.035	0.782
Number of reflections	62625
<I/σ(I)>	35.1		2
Completeness [%]	99.6	98.9	99.1
Redundancy	6.3	5.8	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	Protein: 10 mg/ml in 10 mM Tris-HCl pH 8.3, 20 mM Carbamoyl phosphate, 500 mM NaCl and 5 mM b-mercaptoethanol. Crystallization condition: 0.1M Bis-Tris pH 6.5, 25% w/v PEG 3350, 0.2M Magnesium Chloride, VAPOR DIFFUSION, HANGING DROP, temperature 289K