4E1H

Fragment of human prion protein

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1.73964
Spacegroup name	P 21 21 21
Unit cell lengths	32.317, 42.898, 46.353
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.550 - 1.400
R-factor	0.167
Rwork	0.164
R-free	0.21800
RMSD bond length	0.016
RMSD bond angle	1.751
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.450
High resolution limit [Å]	1.400	3.020	1.400
Rmerge	0.059	0.033	0.756
Number of reflections	13272
<I/σ(I)>	8.7
Completeness [%]	99.8	98.8	100
Redundancy	4.6	4.4	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	298	100mM Citrate pH 3.5, 10mM iron (II) chloride, and 25% PEG 3350, vapor diffusion, hanging drop, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	3.5	298	100mM Citrate pH 3.5, 10mM iron (II) chloride, and 25% PEG 3350, vapor diffusion, hanging drop, temperature 298K