4L1I

Crystal structure of EGFP-based Calcium Sensor CatchER complexed with Ca

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.8
Spacegroup name	P 21 21 21
Unit cell lengths	54.240, 61.060, 67.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.200
R-factor	0.1522
Rwork	0.150
R-free	0.19090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2okw
RMSD bond length	0.012
RMSD bond angle	0.031
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.240
High resolution limit [Å]	1.200	1.200
Rmerge	0.081	0.392
Number of reflections	70349
<I/σ(I)>	19.9	8.7
Completeness [%]	99.2	100
Redundancy	12.5	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.9 mM protein, 53 mM HEPES, pH 7.0, 1 mM beta-mercaptoethanol, 50 mM sodium acetate, 16% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K