1UW3

The crystal structure of the globular domain of sheep prion protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.1
Synchrotron site	SRS
Beamline	PX14.1
Temperature [K]	165
Detector technology	CCD
Collection date	2003-06-15
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	85.068, 29.045, 45.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.050
R-factor	0.227
Rwork	0.222
R-free	0.31900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i4m
RMSD bond length	0.007 *
RMSD bond angle	1.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.9999)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.130
High resolution limit [Å]	2.050	2.050
Rmerge	0.103 *	0.465 *
Number of reflections	7095
<I/σ(I)>	6	2
Completeness [%]	93.2	83.7 *
Redundancy	2.5	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.6		pH 8.60

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	reservoir	sodium potassium phosphate	0.8-1.3 (M)	pH7.4-8.6