6DU9

Crystal Structure of Human Prion Protein 90-231

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	I 41 2 2
Unit cell lengths	72.170, 72.170, 158.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.690 - 2.330
R-factor	0.19672
Rwork	0.192
R-free	0.23496
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3haf
RMSD bond length	0.011
RMSD bond angle	1.416
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.710	2.560
High resolution limit [Å]	2.310	2.310
Rmeas	0.105	1.122
Number of reflections	6581	329
<I/σ(I)>	9.7
Completeness [%]	92.0
Redundancy	4.4
CC(1/2)	1.000	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	298	0.1 M Tris pH 7.6 15 mM CdCl2 2.5 M NaCl 10% Glycerol