7XBR

Crystal structure of phosphorylated AtMKK5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	83.666, 198.572, 202.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.130 - 3.200
R-factor	0.211
Rwork	0.209
R-free	0.24560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bf2
RMSD bond length	0.009
RMSD bond angle	1.670
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.310
High resolution limit [Å]	3.200	3.200
Rmerge	0.167	1.697
Number of reflections	55113	5452
<I/σ(I)>	15.6	1.86
Completeness [%]	96.7	97.2
Redundancy	7.5	7.6
CC(1/2)	0.990	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.1 M Bis-Tris Propane (pH 7.0), 2.8 M NaAc (pH 7.0) and 0.4M NaCl