1UJK

VHS domain of human GGA1 complexed with C-terminal phosphopeptide from BACE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-27
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	48.545, 72.308, 103.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.900
R-factor	0.2148
Rwork	0.213
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jwg
RMSD bond length	0.005
RMSD bond angle	1.072
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.055
Number of reflections	28939
<I/σ(I)>	17.6
Completeness [%]	98.6	95.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	PEG5000MME, Ammonium Iodide, 1,6-hexanediol, MES-NaOH, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K