3RFT

Crystal structure of uronate dehydrogenase from Agrobacterium tumefaciens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-30
Detector	ADSC QUANTUM 315r
Spacegroup name	P 62 2 2
Unit cell lengths	164.650, 164.650, 174.830
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.565 - 1.900
R-factor	0.1522
Rwork	0.151
R-free	0.17250
Structure solution method	SIRAS
RMSD bond length	0.007
RMSD bond angle	1.052
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	HKL2Map
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.950
High resolution limit [Å]	1.900	1.900
Rmerge		0.343
Number of reflections	208931
<I/σ(I)>		4.81
Completeness [%]	100.0	100
Redundancy		5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	1.8 M ammonium sulfate, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K