5TCD

Human alkaline sphingomyelinase (ENPP7) in complex with phosphocholine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-12
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 31 2 1
Unit cell lengths	104.223, 104.223, 113.893
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.444 - 2.400
R-factor	0.1755
Rwork	0.173
R-free	0.20810
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.610
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.180
Number of reflections	65605
<I/σ(I)>	17.5
Completeness [%]	93.6
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	sodium iodide, PEG 3350