2Y0E

BceC and the final step of UGDs reaction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	97.631, 108.933, 187.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.689 - 1.750
R-factor	0.1649
Rwork	0.163
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PRELIMINARY (MAINLY POLY-ALA) MODEL OF SPHINGOMONAS ELODEA UGD (SEE REFERENCE 2 IN REMARK 1)
RMSD bond length	0.012
RMSD bond angle	1.398
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.560	1.840
High resolution limit [Å]	1.750	1.750
Rmerge	0.070	0.320
Number of reflections	197721
<I/σ(I)>	6.7	2
Completeness [%]	98.4	99.7
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	AT 293 K UPON VAPOR DIFFUSION OF SITTING DROPS OF 1 MICRO-LITER PROTEIN SOLUTION (5 MG/ML PROTEIN, 25 MM TRIS-HCL PH 8.3, 50 MM NACL, 2.5 MM DTT, 0.25 MM UDP-GLCA, AND 0.5 MM OXIDIZED NAD), AND 1 MICRO-LITER WELL SOLUTION (200 MM AMMONIUM SULPHATE, 100 MM SODIUM ACETATE PH 4.5, 11 % (W/V) PEG 4K, AND 50 MM NAF), EQUILIBRATED AGAINST 500 MICRO-LITER PRECIPITATION SOLUTION IN THE WELL.