3RFV

Crystal structure of Uronate dehydrogenase from Agrobacterium tumefaciens complexed with NADH and product

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X12
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X12
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-10
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 62 2 2
Unit cell lengths	165.390, 165.390, 173.630
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.758 - 2.100
R-factor	0.159
Rwork	0.157
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rft
RMSD bond length	0.007
RMSD bond angle	1.091
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.120
High resolution limit [Å]	2.100	2.100
Rmerge		0.367
Number of reflections	81563
<I/σ(I)>		6.8
Completeness [%]	99.8	100
Redundancy		11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	2.5	298	1.8 M ammonium phosphate, Tris-HCl, pH 2.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K