4PIW

Crystal structure of sugar aminotransferase WecE from Escherichia coli K-12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2004-04-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 1 2 1
Unit cell lengths	125.341, 87.483, 161.554
Unit cell angles	90.00, 91.10, 90.00

Refinement procedure

Resolution	48.801 - 2.700
R-factor	0.2372
Rwork	0.236
R-free	0.27540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ensemble model of 1MDO 3dr7 3frk 4LC3 and 4OCA
RMSD bond length	0.002
RMSD bond angle	0.503
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX ((phenix.refine: 1.9_1678))
Refinement software	PHENIX ((phenix.refine: 1.9_1678))

Data quality characteristics

	Overall
Low resolution limit [Å]	48.800
High resolution limit [Å]	2.700
Rmerge	0.111
Number of reflections	90907
<I/σ(I)>	10.31
Completeness [%]	84.2
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Protein solution (10~25 mg/ml, 25 mM Tris or HEPES pH 7.5, 150 mM NaCl) mixed in a 1:1 ratio with the well solution (0.1 M Sodium Acetate, 0.1 M MES pH6.5, 30% (w/v) PEG 2000 MME), cryoprotected with 27% PEG 2000 MME and 10% glycerol