1NEP

Crystal Structure Analysis of the Bovine NPC2 (Niemann-Pick C2) Protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Collection date	2002-01-01
Wavelength(s)	1.06287
Spacegroup name	I 2 3
Unit cell lengths	100.157, 100.157, 100.157
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.700
R-factor	0.1945
Rwork	0.195
R-free	0.21300 *
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	27.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *
High resolution limit [Å]	1.700 *	1.700 *
Rmerge	0.079 *	0.169 *
Total number of observations	195458 *
Number of reflections	18534 *
Completeness [%]	100.0 *	100 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	Tris, Ammonium phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium phosphate	1.95 (M)
2	1	reservoir	Tris	100 (mM)	pH7.5