4UYA

Structure of MLK4 kinase domain with ATPgammaS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-18
Detector	DECTRIS PILATUS 6M
Spacegroup name	C 1 2 1
Unit cell lengths	113.011, 35.163, 70.022
Unit cell angles	90.00, 96.33, 90.00

Refinement procedure

Resolution	56.160 - 2.800
R-factor	0.2043
Rwork	0.201
R-free	0.26060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dtc
RMSD bond length	0.009
RMSD bond angle	1.150
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AMoRE
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.000	3.200
High resolution limit [Å]	2.800	2.800
Rmerge	0.140	0.780
Number of reflections	6917
<I/σ(I)>	6.6	1.6
Completeness [%]	99.1	99.3
Redundancy	3.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1