1PY1

Complex of GGA1-VHS domain and beta-secretase C-terminal phosphopeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-03-17
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	70.140, 95.420, 107.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 * - 2.600
R-factor	0.236
Rwork	0.236
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jwg
RMSD bond length	0.011
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.074	0.477 *
Number of reflections	22869 *	2229 *
<I/σ(I)>	25.8	4
Completeness [%]	99.5 *	98.9
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	20 *	PEG 3350, AMMONIUM SULFATE, CACODYLATE, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG3350	30 (%(w/v))
2	1	reservoir	ammonium sulfate	0.2 (M)
3	1	reservoir	sodium cacodylate	0.1 (M)	pH6.4
4	1	reservoir	beta-mercaptoethanol	0.1 (%(v/v))