6YPE

Crystal structure of the human neuronal pentraxin 1 (NP1) pentraxin (PTX) domain.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9763
Spacegroup name	C 1 2 1
Unit cell lengths	121.220, 36.060, 92.170
Unit cell angles	90.00, 97.47, 90.00

Refinement procedure

Resolution	45.694 - 1.450
R-factor	0.1544
Rwork	0.153
R-free	0.17800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sac
RMSD bond length	0.005
RMSD bond angle	0.881
Data reduction software	XDS
Data scaling software	Aimless (0.5.28)
Phasing software	PHASER
Refinement software	PHENIX (dev-2645)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.694	1.490
High resolution limit [Å]	1.450	1.450
Rmerge	0.087	0.817
Rmeas	0.103	1.021
Rpim	0.054	0.599
Number of reflections	69831	4824
<I/σ(I)>	11.7	1.3
Completeness [%]	98.9	94.6
Redundancy	3.6	2.8
CC(1/2)	0.998	0.495

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	15% (v/v) glycerol, 25.5% (w/v) polyethylene glycol (PEG) 8000, 0.17M ammonium sulphate, 0.085 M sodium cacodylate.