3S2J

Crystal structure of dipeptidase from Streptomyces coelicolor complexed with phosphinate pseudodipeptide L-Leu-D-Ala

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	2009-08-21
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 31 2 1
Unit cell lengths	97.043, 97.043, 104.962
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.175 - 1.297
R-factor	0.1711
Rwork	0.171
R-free	0.17720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k5x
RMSD bond length	0.005
RMSD bond angle	1.075
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall
Low resolution limit [Å]	27.175
High resolution limit [Å]	1.297
Number of reflections	130593
Completeness [%]	92.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	22% Polyacrylic Acid, 0.1M Hepes, 0.2M magnesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K