5OJK

Crystal structure of the human neuroligin 1 cholinesterase domain containing spliced sequence B (SSB) (NL1(-A+B))

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	80
Detector technology	PIXEL
Collection date	2013-01-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96860
Spacegroup name	P 2 21 21
Unit cell lengths	49.570, 118.050, 214.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.700 - 2.550
R-factor	0.2381
Rwork	0.236
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bix
RMSD bond length	0.003
RMSD bond angle	0.782
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_2044))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.700	2.620
High resolution limit [Å]	2.550	2.550
Rpim	0.068	0.484
Number of reflections	40826	3077
<I/σ(I)>	8.4	1.5
Completeness [%]	97.3	98.8
Redundancy	7.5	7.3
CC(1/2)	0.999	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M KSCN, 0.1M Bis-tris propane pH 8.5, 20% w/v PEG3350