3VES

Crystal structure of the O-carbamoyltransferase TobZ in complex with AMPCPP and carbamoyl phosphate

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	2010-10-07
Detector	RAYONIX MX-225
Wavelength(s)	0.9184
Spacegroup name	P 61 2 2
Unit cell lengths	98.741, 98.741, 281.099
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.984 - 2.230
R-factor	0.1853
Rwork	0.183
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ven
RMSD bond length	0.008
RMSD bond angle	1.066
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.984		2.290
High resolution limit [Å]	2.230	9.970	2.230
Rmerge	0.095	0.016	0.784
Number of reflections	40445	542	2906
<I/σ(I)>	14.99	49.07	2.37
Completeness [%]	99.8	95.8	99.5
Redundancy	4.7

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