5FIB

Open form of murine Acid Sphingomyelinase

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	2015-06-18
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 4 21 2
Unit cell lengths	181.173, 181.173, 109.891
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.698 - 2.800
R-factor	0.1921
Rwork	0.190
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hnq
RMSD bond length	0.005
RMSD bond angle	0.756
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	45.700
High resolution limit [Å]	2.800
Number of reflections	63590
<I/σ(I)>	15.39
Completeness [%]	100.0
Redundancy	9.72

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	ammonium sulfate