5KWY

Structure of human NPC1 middle lumenal domain bound to NPC2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	98.956, 109.686, 154.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.725 - 2.405
R-factor	0.1967
Rwork	0.194
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f1b 1nep
RMSD bond length	0.003
RMSD bond angle	0.684
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.470
High resolution limit [Å]	2.400	2.400
Rmerge	0.098	0.594
Number of reflections	32184
<I/σ(I)>	10.14
Completeness [%]	97.7
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M MES pH6.5, 0.1M NaCl, 30% (v/v) PEG400