4KWT

Crystal structure of unliganded anabolic ornithine carbamoyltransferase from Vibrio vulnificus at 1.86 A resolution

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]	100
Detector technology	CCD
Collection date	2012-06-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	77.810, 82.650, 150.908
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.500 - 1.860
R-factor	0.1613
Rwork	0.160
R-free	0.19520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h31
RMSD bond length	0.019
RMSD bond angle	1.738
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.890
High resolution limit [Å]	1.860	5.050	1.860
Rmerge	0.075	0.042	0.968
Number of reflections	81196
<I/σ(I)>	35.1		2.1
Completeness [%]	98.3	92.9	99.2
Redundancy	5.6	5.4	5.2

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, 60 mM Arginine, 500 mM NaCl and 5 mM b-mercaptoethanol. Crystallization condition: 0.1M Bis-Tris pH 6.5, 23% w/v PEG 3350, 0.2M Lithium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 289K