5VO3

Crystal structure of DapE in complex with the products (succinic acid and diaminopimelic acid)

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	2016-02-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9794
Spacegroup name	I 2 2 2
Unit cell lengths	56.648, 135.536, 149.613
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.321 - 1.954
R-factor	0.1634
Rwork	0.162
R-free	0.18460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3isz
RMSD bond length	0.008
RMSD bond angle	1.174
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX (dev_1888)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.984
High resolution limit [Å]	1.950	1.954
Rmerge	0.073
Number of reflections	60902
<I/σ(I)>	16
Completeness [%]	99.5
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.15 M Hepes pH 7.5, 0.06 M Sodium potassium tartrate, 26 % Peg 8000