3DEQ

Crystal structure of dipeptide epimerase from Thermotoga maritima complexed with L-Ala-L-Leu 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	191.581, 191.581, 283.234
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.910 - 2.100
R-factor	0.246
Rwork	0.246
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tkk
RMSD bond length	0.006
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]	2.100
Rmerge	0.092
Number of reflections	172337
Completeness [%]	97.5

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