4J8R

Structure of an octapeptide repeat of the prion protein bound to the POM2 Fab antibody fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-28
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 2 21
Unit cell lengths	65.415, 71.567, 207.592
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.597 - 2.303
R-factor	0.2474
Rwork	0.247
R-free	0.25740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dgi
RMSD bond length	0.028
RMSD bond angle	1.933
Data reduction software	autoXDS
Data scaling software	autoXDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.600	2.350
High resolution limit [Å]	2.300	2.300
Number of reflections	44080
<I/σ(I)>	10.82
Completeness [%]	99.8	98
Redundancy	7.24

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	28% PEG 1000, 0.1M HEPES, 0.2M Calcium Chloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K