4S00

Crystal structure of metallopeptidase-like dimethylsulphoniopropionate (DMSP) lyase RlDddP mutant Y366A in complex with acrylate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-01
Detector	ADSC QUANTUM 315r
Spacegroup name	P 32
Unit cell lengths	175.820, 175.820, 109.637
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.292 - 2.099
R-factor	0.152
Rwork	0.151
R-free	0.17750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.040
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MLPHARE
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Completeness [%]	98.6	94.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	1.6 M potassium/sodium phosphate, pH 6.5 , VAPOR DIFFUSION, HANGING DROP, temperature 293K