3S97

PTPRZ CNTN1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	334.108, 45.957, 78.947
Unit cell angles	90.00, 101.37, 90.00

Refinement procedure

Resolution	33.561 - 2.297
R-factor	0.2033
Rwork	0.201
R-free	0.25450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 3JXF and 1CS6
RMSD bond length	0.007
RMSD bond angle	1.056
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.297	4.950	2.297
Rmerge	0.153	0.088	0.493
Number of reflections	51002
<I/σ(I)>	7.5
Completeness [%]	96.4	99.6	81.3
Redundancy	6.9	7.3	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	10% (w/v) PEG 1,500, 50 mM Na-cacodylate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K