3VET

Crystal structure of the O-carbamoyltransferase TobZ in complex with Tobramycin, carbamoyl phosphate and ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-25
Detector	RAYONIX MX-225
Wavelength(s)	0.9184
Spacegroup name	P 61 2 2
Unit cell lengths	98.818, 98.818, 280.908
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.041 - 2.200
R-factor	0.1674
Rwork	0.165
R-free	0.20420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3veo
RMSD bond length	0.007
RMSD bond angle	1.131
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.041	34.040	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.075	0.029	0.730
Number of reflections	42176	847	5782
<I/σ(I)>	22.23	96.8	2.42
Completeness [%]	100.0	97.7	99.9
Redundancy	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	1.6 M sodium potassium tartrate, 0.1 M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K