4H88

Structure of POM1 FAB fragment complexed with mouse PrPc Fragment 120-230

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	2011-02-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	83.406, 107.331, 75.443
Unit cell angles	90.00, 95.27, 90.00

Refinement procedure

Resolution	35.008 - 1.900
R-factor	0.2012
Rwork	0.199
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.956
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.900
Rmerge	0.080
Number of reflections	49880
<I/σ(I)>	14.8
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	25% PEG3350, 0.1 M BIS-TRIS, 0.2 M lithium sulphate , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K