6PQ5

AGAAAA segment 113-118 from human prion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID13
Synchrotron site	ESRF
Beamline	ID13
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-31
Detector	MAR CCD 165 mm
Wavelength(s)	0.8954
Spacegroup name	P 1 21 1
Unit cell lengths	18.533, 9.508, 17.632
Unit cell angles	90.00, 120.54, 90.00

Refinement procedure

Resolution	15.960 - 1.500
R-factor	0.23694
Rwork	0.234
R-free	0.27122
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.102
Data reduction software	DENZO
Data scaling software	SCALEPACK (1.98.5)
Phasing software	PHASER (1.3.2)
Refinement software	REFMAC (5.4.0061)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.000	1.550
High resolution limit [Å]	1.500	1.500
Number of reflections	836	63
<I/σ(I)>	5.42
Completeness [%]	91.5	64.9
Redundancy	3.4	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	298	35 mg/mL peptide in 1.92 M sodium malonate, pH 4.0