4YX2

Crystal structure of Bovine prion protein complexed with POM1 FAB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-02
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	89.674, 99.764, 75.942
Unit cell angles	90.00, 93.08, 90.00

Refinement procedure

Resolution	33.537 - 2.194
R-factor	0.2183
Rwork	0.216
R-free	0.26340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h88 4dgi
RMSD bond length	0.009
RMSD bond angle	1.198
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.194	2.200
Number of reflections	33032
<I/σ(I)>	18	3
Completeness [%]	96.8	89.3
Redundancy	3.9	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	25% PEG3350, 0.1 M BIS-TRIS, 0.2 M lithium sulphate