7CTV

Crystal structure of Arabidopsis thaliana SOBIR1 kinase domain D489A mutant in complex with AMP-PNP and magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97852
Spacegroup name	P 1 21 1
Unit cell lengths	67.570, 50.889, 105.416
Unit cell angles	90.00, 95.35, 90.00

Refinement procedure

Resolution	43.386 - 2.886
R-factor	0.218126395507
Rwork	0.217
R-free	0.23939
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lpy
RMSD bond length	0.002
RMSD bond angle	0.493
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.880	2.900
Rmerge	0.095	0.494
Rmeas	0.104	0.548
Rpim	0.041	0.233
Number of reflections	16161	1595
<I/σ(I)>	19.9	2.5
Completeness [%]	99.8	99.1
Redundancy	6.3	5.2
CC(1/2)	0.985	0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.15	298	0.1 M Bistris propane (pH 8.15), 18% PEG8000, 3% MPD, 8% glycerol