3NU7

WbpE, an Aminotransferase from Pseudomonas aeruginosa Involved in O-antigen Assembly in Complex with the Cofactor PMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	110
Detector technology	CCD
Collection date	2009-06-26
Detector	ADSC QUANTUM 270
Spacegroup name	P 21 21 2
Unit cell lengths	78.280, 149.288, 54.898
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.660 - 1.950
R-factor	0.20152
Rwork	0.199
R-free	0.24550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SeMet Derivative
RMSD bond length	0.010
RMSD bond angle	1.204
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.073
Number of reflections	45308
<I/σ(I)>	53.4
Completeness [%]	99.8	100
Redundancy	14.5	14.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	Crystallization conditions: 0.1 M Bis-Tris, pH 5.5, 0.2 M Ammonium sulfate, 25% PEG 3350 in the reservoir; Protein solution contains 25 mM HEPES, pH 8.0, 100 mM NaCl, 0.5% glycerol; Drop made by mixing 1.5 uL of protein and reservoir solutions., VAPOR DIFFUSION, HANGING DROP, temperature 298K