2HKA

Crystal structure of bovine NPC2 and cholesterol sulfate complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-14
Detector	ENRAF-NONIUS
Spacegroup name	C 1 2 1
Unit cell lengths	122.380, 62.163, 72.449
Unit cell angles	90.00, 98.62, 90.00

Refinement procedure

Resolution	20.000 - 1.810
Rwork	0.195
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nep
RMSD bond length	0.006
RMSD bond angle	1.380
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.870
High resolution limit [Å]	1.810	1.810
Rmerge	0.107	0.350
Number of reflections	48283
<I/σ(I)>	17.9	4.3
Completeness [%]	98.2	93
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5	295	PROTEIN SOLUTION: 10-15 MG/ML CHOLESTEROL SULFATE-BOUND NPC2 IN 0.2 M AMMONIUM ACETATE PH 5.0; WELL SOLUTION: 2.0 M AMMONIUM SULFATE, 0.10 M SODIUM ACETATE PH 5.0, 1.0 MM CETYLTRIMETHYLAMMONIUM BROMIDE, EVAPORATION, temperature 295K