7P8D

Crystal structure of the Receiver domain of A. thaliana cytokinin receptor AtCRE1 in complex with Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 2
Unit cell lengths	88.183, 99.202, 35.623
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.230 - 1.700
R-factor	0.1953
Rwork	0.194
R-free	0.24560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AtCRE1-REC-K
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.230	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.057	1.340
Rmeas	0.059	1.390
Number of reflections	35267	5583
<I/σ(I)>	22.9	1.56
Completeness [%]	99.9	99.8
Redundancy	12.9	13.2
CC(1/2)	1.000	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	0.03 M MgCl2, 0.03 M CaCl2 in 0.1 M MES/Imidazole at pH 6.5 and 12.5% of each PEG1000, PEG3350 and 27.5% MPD