4WGK

Crystal structure of human neutral ceramidase with Zn-bound phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	193
Detector technology	CCD
Collection date	2013-08-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	73.480, 156.630, 80.330
Unit cell angles	90.00, 108.04, 90.00

Refinement procedure

Resolution	68.650 - 2.582
R-factor	0.1801
Rwork	0.178
R-free	0.22270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zws
RMSD bond length	0.003
RMSD bond angle	0.691
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.650	2.674
High resolution limit [Å]	2.582	2.582
Rmerge	0.081	0.373
Number of reflections	49612
<I/σ(I)>	7.47	1.91
Completeness [%]	91.6	87.4
Redundancy	1.8	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	289.15	10% PEG 1000, 0.2M Lithium sulfate, 0.1M citrate phosphate buffer, pH 4.6