6URU

iAChSnFR Fluorescent Acetylcholine Sensor precursor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	298
Detector technology	CCD
Collection date	2015-03-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	72.120, 89.780, 92.890
Unit cell angles	90.00, 90.48, 90.00

Refinement procedure

Resolution	92.890 - 2.600
R-factor	0.2159
Rwork	0.213
R-free	0.26450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f9g 3ppn
RMSD bond length	0.011
RMSD bond angle	1.536
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.900	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.141	1.228
Number of reflections	36373	5167
<I/σ(I)>	8
Completeness [%]	99.3
Redundancy	5.1
CC(1/2)	0.989	0.299

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Phosphate buffer