5E5R

Crystal structure of the complex between Carbonic anhydrase-like domain of PTPRG and Immunoglobulin domains 2-3 of CNTN3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	74.138, 90.526, 147.448
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.149 - 2.600
R-factor	0.1904
Rwork	0.187
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jxh 5e4i
RMSD bond length	0.009
RMSD bond angle	1.101
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.134	0.103	0.588
Total number of observations	356562
Number of reflections	31166
<I/σ(I)>	8.3
Completeness [%]	99.6	99.9	96.3
Redundancy	11.4	13.3	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	1% (v/v) Tacsimate pH 7.0, 20% (w/v) PEG 3350, 50mM Imidazole-HCl pH 6.5