7CEE

Crystal structure of mouse 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	2015-06-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	65.842, 167.142, 177.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.664 - 2.763
R-factor	0.2192
Rwork	0.217
R-free	0.25140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bix
RMSD bond length	0.003
RMSD bond angle	0.871
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.810
High resolution limit [Å]	2.760	7.480	2.760
Rmerge	0.111	0.054	0.398
Rmeas	0.117	0.056	0.444
Rpim	0.037	0.016	0.190
Total number of observations	388970
Number of reflections	50446	2772	2443
<I/σ(I)>	4.8
Completeness [%]	99.1	99.7	98.7
Redundancy	7.7	11.4	4.8
CC(1/2)		0.998	0.518

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	15% PEG 3350, 0.2 M ammonium chloride, 0.1 M MES-Na