4ZAH

Crystal structure of sugar aminotransferase WecE with External Aldimine VII from Escherichia coli K-12

Replaces:  4WFP

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	2014-07-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	88.071, 103.935, 109.386
Unit cell angles	72.10, 73.55, 74.08

Refinement procedure

Resolution	48.207 - 2.240
R-factor	0.2035
Rwork	0.203
R-free	0.24570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4piw
RMSD bond length	0.010
RMSD bond angle	1.288
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (dev_1951)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.207	2.270
High resolution limit [Å]	2.240	2.240
Rmerge	0.253	1.465
Rmeas	0.332	12.315
Total number of observations	2362623
Number of reflections	233383	13649
<I/σ(I)>	5.58	1.35
Completeness [%]	99.7	99.2
Redundancy	7.63

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	10% v/v 2-Propanol, 0.1M Sodium Citrate pH 5.0, 26% v/v PEG400