6YIG

Crystal structure of the N-terminal EF-hand domain of Arabidopsis thaliana AtEH1/Pan1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	35.510, 38.620, 63.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.000 - 1.550
R-factor	0.1459
Rwork	0.145
R-free	0.16400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qpt
RMSD bond length	0.008
RMSD bond angle	0.931
Data reduction software	XDS (20180409)
Data scaling software	XSCALE (20180409)
Phasing software	MoRDa
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.000	33.000	1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmeas	0.052	0.029	0.387
Number of reflections	23759	273	1451
<I/σ(I)>	22.88	63.43	3.4
Completeness [%]	97.2	100	81.4
Redundancy	7.47	8.74	3.64
CC(1/2)	0.999	0.999	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	293	100mM HEPES pH 7.6, 0.8M SodiumMalonate, 0.5% Jeffamine