7CEG

Crystal structure of the complex between mouse PTP delta and neuroligin-3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	P 32 1 2
Unit cell lengths	96.109, 96.109, 371.613
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.690 - 3.850
R-factor	0.2547
Rwork	0.253
R-free	0.28910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yd6 4yfd 4yfe 3bix
RMSD bond length	0.002
RMSD bond angle	0.499
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	4.300
High resolution limit [Å]	3.850	11.220	4.220
Rmerge	0.119	0.088	0.339
Rmeas	0.124	0.091	0.373
Rpim	0.034	0.022	0.148
Number of reflections	19070	834	711
<I/σ(I)>	4.1
Completeness [%]	98.4	98.5	98.5
Redundancy	8.9	16.4	5.1
CC(1/2)		0.998	0.582

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	10% PEG 3350, 0.1 M ammonium iodide, 0.1 M MES-Na