3VEZ

Crystal structure of the O-carbamoyltransferase TobZ K443A variant in complex with ATP, ADP and carbamoyl phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-08-30
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61 2 2
Unit cell lengths	99.147, 99.147, 281.156
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.357 - 2.400
R-factor	0.1869
Rwork	0.184
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ven
RMSD bond length	0.007
RMSD bond angle	1.147
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.360	30.000	2.500
High resolution limit [Å]	2.400	20.000	2.400
Rmerge	0.109	0.026	0.581
Number of reflections	32912	41	3694
<I/σ(I)>	15.79	32.57	3.14
Completeness [%]	99.8	69.5	99.8
Redundancy	5.7

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