4Y6K

Complex structure of presenilin homologue PSH bound to an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-29
Detector	RIGAKU SATURN 724
Wavelength(s)	1.0
Spacegroup name	C 2 2 2
Unit cell lengths	168.617, 201.691, 117.505
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.203 - 3.855
R-factor	0.3222
Rwork	0.320
R-free	0.36750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hyg
RMSD bond length	0.006
RMSD bond angle	1.495
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.850
Number of reflections	7729
<I/σ(I)>	8.9
Completeness [%]	51.0
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M Glycine pH 3.6, 0.2 M (NH4)2SO4, 20% (w/v) PEG500MME, 6% (w/v) Glycerol, 0.04% (w/v) Anapoe-C12E8,1% (w/v) N-heptyl-b-D-thioglucoside