3HES

Human prion protein variant F198S with M129

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Collection date	2002-03-19
Wavelength(s)	1.1000
Spacegroup name	P 43 21 2
Unit cell lengths	57.017, 57.017, 167.364
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.850 - 2.000
R-factor	0.217
Rwork	0.216
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.240
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.4.0067)

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	0.058	0.030	0.292
Number of reflections	19343
<I/σ(I)>	30.427
Completeness [%]	98.8	98.8	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	1.0 M NaCl, 10% PEG 8K, 5mM CdCl2, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K