4YXH

Crystal structure of Deer prion protein complexed with POM1 FAB

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	PIXEL
Collection date	2013-03-31
Detector	PSI PILATUS 6M
Wavelength(s)	0.97945
Spacegroup name	C 1 2 1
Unit cell lengths	84.282, 106.580, 75.775
Unit cell angles	90.00, 95.81, 90.00

Refinement procedure

Resolution	38.326 - 2.700
R-factor	0.2449
Rwork	0.242
R-free	0.28790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h88 4dgi
RMSD bond length	0.019
RMSD bond angle	2.652
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	2.800
High resolution limit [Å]	2.700	2.700
Number of reflections	18203
<I/σ(I)>	10	1.2
Completeness [%]	98.4	98.8
Redundancy	3.8	3.9

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