4OP4

Crystal structure of the catalytic domain of DapE protein from V.cholerea in the Zn bound form

Replaces:  3T6M

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9794
Spacegroup name	P 32
Unit cell lengths	49.898, 49.898, 231.762
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.714 - 1.651
R-factor	0.1432
Rwork	0.141
R-free	0.16590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.433
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.051
Number of reflections	70716
Completeness [%]	91.3	49.2
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	289	20% (V/V) 1,4-BUTANEDIOL 0.1 M ACETATE, PH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K