4S01

Crystal structure of metallopeptidase-like dimethylsulphoniopropionate (DMSP) lyase RlDddP mutant D377N 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
Wavelength(s)	0.9793
Spacegroup name	P 32
Unit cell lengths	175.963, 175.963, 109.679
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.315 - 2.100
R-factor	0.1727
Rwork	0.171
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.059
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
Number of reflections	219859
Completeness [%]	99.2	99

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