3K5X

Crystal structure of dipeptidase from Streptomics coelicolor complexed with phosphinate pseudodipeptide L-Ala-D-Asp at 1.4A resolution.

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	2009-10-03
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 31 2 1
Unit cell lengths	96.910, 96.910, 104.190
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.880 - 1.400
R-factor	0.193
Rwork	0.193
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3id7
RMSD bond length	0.004
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]	1.400
Rmerge	0.072
Number of reflections	106229
Completeness [%]	95.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	22% polyacrylic acid, 0.1M hepes, 0.02M magnesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K