5UV4

Crystal Structure of Maize SIRK1 (sucrose-induced receptor kinase 1) kinase domain bound to AMP-PNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979200
Spacegroup name	P 21 21 21
Unit cell lengths	53.444, 74.532, 79.742
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.870 - 2.300
R-factor	0.184
Rwork	0.182
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l68
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	XDS (May 1, 2016 BUILT=20160617)
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.870	2.390
High resolution limit [Å]	2.300	2.300
Rmerge	0.049	0.551
Rpim	0.027	0.341
Number of reflections	14190	1492
<I/σ(I)>	14.8	2.6
Completeness [%]	97.0	98.4
Redundancy	4	4.1
CC(1/2)	0.998	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	12.5% w/v PEG1000, 12.5% w/v PEG3350, 12.5% v/v MPD, 0,02M of each monossacharide (D-glucose, D-mannose, D-galactose, L-fucose, D-xylose, N-acetyl-D-glucosamine), 0.1M MOPS/HEPES-Na pH 7.5