8EUS

Crystal structure of NPC1 luminal domain C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	53.145, 65.207, 68.534
Unit cell angles	90.00, 91.69, 90.00

Refinement procedure

Resolution	41.190 - 2.300
R-factor	0.1927
Rwork	0.191
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f18
RMSD bond length	0.003
RMSD bond angle	0.646
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.370
High resolution limit [Å]	2.300	2.300
Rmerge	0.120	0.600
Rmeas	0.130	0.680
Rpim	0.053	0.300
Number of reflections	20421	1522
<I/σ(I)>	13.1	3.1
Completeness [%]	98.1	97.4
Redundancy	5.5	4.8
CC(1/2)	0.998	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.1 M sodium malonate 20% PEG 3,350