4WBV

Crystal structure of a prion peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.91840
Spacegroup name	P 1 21 1
Unit cell lengths	19.618, 9.459, 19.672
Unit cell angles	90.00, 92.92, 90.00

Refinement procedure

Resolution	19.646 - 1.400
R-factor	0.1562
Rwork	0.153
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.259
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.450
High resolution limit [Å]	1.400	3.020	1.400
Rmerge	0.057	0.053	0.133
Total number of observations	13204
Number of reflections	1309
<I/σ(I)>	29.3
Completeness [%]	84.1	93.6	61.7
Redundancy	10.1	13.5	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M Bis-tris pH 6.5, 0.3 M ammonium acetate, and 30-40 % ethylene glycol