3DER

Crystal structure of dipeptide epimerase from Thermotoga maritima complexed with L-Ala-L-Lys dipeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 61 2 2
Unit cell lengths	190.690, 190.690, 283.106
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.990 - 1.900
R-factor	0.231
Rwork	0.231
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3deq
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	1.900
Rmerge	0.084
Number of reflections	230926
Completeness [%]	97.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	3.0 M Sodium chloride, 0.1 M Sodium acetate trihydrate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K