3HJX

Human prion protein variant D178N with V129

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Collection date	2006-08-07
Wavelength(s)	0.9198
Spacegroup name	I 21 21 21
Unit cell lengths	39.159, 57.656, 93.315
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.380 - 2.000
R-factor	0.208
Rwork	0.205
R-free	0.26630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.464
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.067	0.029	0.471
Number of reflections	7405
<I/σ(I)>	23.186
Completeness [%]	99.5	97.3	99.9
Redundancy	5	4.9	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1M Tris (pH 7.0), 2.0 M NaCl and 5 mM CdCl2, VAPOR DIFFUSION, SITTING DROP, temperature 293K