5X2E

Crystal structure of Calmodulin like domain of CsTAL3 (1-81aa)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9800
Spacegroup name	P 41
Unit cell lengths	47.827, 47.827, 42.537
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.827 - 1.299
R-factor	0.1831
Rwork	0.180
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SAD structure
RMSD bond length	0.011
RMSD bond angle	1.285
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.8.3_1479)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.320
High resolution limit [Å]	1.300	3.530	1.300
Rmerge	0.033	0.031	0.392
Rmeas	0.035	0.032	0.424
Rpim	0.010	0.009	0.158
Number of reflections	23678
<I/σ(I)>	11.2
Completeness [%]	99.6	95.4	99.4
Redundancy	10.4	12.4	6.5
CC(1/2)		0.999	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295.15	90 mM sodium acetate, 3.25 M NaCl