3MBO

Crystal Structure of the Glycosyltransferase BaBshA bound with UDP and L-malate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-26
Detector	MAR CCD 165 mm
Wavelength(s)	1.000
Spacegroup name	P 41
Unit cell lengths	226.266, 226.266, 75.354
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.222 - 3.307
R-factor	0.2293
Rwork	0.228
R-free	0.25710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jjm
RMSD bond length	0.009
RMSD bond angle	1.970
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.360
High resolution limit [Å]	3.300	8.940	3.300
Rmerge	0.169	0.085	0.919
Number of reflections	57310
<I/σ(I)>	7.1
Completeness [%]	99.3	100	93.7
Redundancy	5.7	7.2	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	15% PEG 3350, 0.2 M MgFormate, 0.02% sodium azide, 1 mM L-malate, 1 mM Uridine diphosphate, pH 7.5, vapor diffusion, hanging drop, temperature 289K