2OLX

Structure of NNQQ Peptide from Yeast Prion SUP35

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	2005-12-19
Detector	MAR CCD 165 mm
Spacegroup name	P 21 21 21
Unit cell lengths	15.479, 4.915, 30.552
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.280 - 1.420
R-factor	0.188
Rwork	0.183
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	polyalanine ideal beta-strand
RMSD bond length	0.008
RMSD bond angle	1.397
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	90.000	90.000	1.450
High resolution limit [Å]	1.400	3.020	1.400
Rmerge	0.124	0.097	0.209
Number of reflections	426
<I/σ(I)>	8.7
Completeness [%]	74.9	97.3	54.3
Redundancy	3.1	3	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	VAPOR DIFFUSION, HANGING DROP, temperature 298K