4I2Y

Crystal Structure of the genetically encoded calcium indicator RGECO1

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]	100
Detector technology	CCD
Collection date	2012-11-16
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	65.160, 91.730, 68.570
Unit cell angles	90.00, 95.29, 90.00

Refinement procedure

Resolution	68.280 - 2.200
R-factor	0.19659
Rwork	0.193
R-free	0.25732
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h5q 3sg3
RMSD bond length	0.021
RMSD bond angle	1.936
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0111)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.770	2.320
High resolution limit [Å]	2.200	2.200
Number of reflections	40865
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	73mM malonic acid, 10mM ammonium citrate tribasic, 5mM succinic acid, 12mM malic acid, 16mM sodium acetate trihydrate, 20mM sodium formate, 6mM ammonium tartrate dibasic, 12% PEG 3350, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K