5O8T

Crystal structure of wild type Aplysia californica AChBP in complex with strychnine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	150
Detector technology	PIXEL
Collection date	2015-03-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91739
Spacegroup name	P 32
Unit cell lengths	74.460, 74.460, 186.754
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.630 - 2.200
R-factor	0.18347
Rwork	0.181
R-free	0.22855
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xys
RMSD bond length	0.009
RMSD bond angle	1.378
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.630	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.135	0.762
Number of reflections	58318	4655
<I/σ(I)>	8.5	2.3
Completeness [%]	99.1	99.7
Redundancy	5.5	5.7
CC(1/2)	0.994	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Reservoir contained 0.1 M magnesium chloride, 25% PEG 3350. Protein buffer 50 mm tris, 250 mM NaCl, pH 7.5. 0.5 mM strychnine