4ZS4

Crystal Structure of the Inactive Alpha-kinase Domain of Myosin-II Heavy Chain Kinase A (D756A) Complexed with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-03-05
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.97938
Spacegroup name	P 21 21 2
Unit cell lengths	83.207, 109.744, 77.845
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.400
R-factor	0.1808
Rwork	0.178
R-free	0.22330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lkm
RMSD bond length	0.010
RMSD bond angle	1.541
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	30.000	2.440
High resolution limit [Å]	2.400	7.030	2.400
Rmerge	0.140	0.062	0.549
Total number of observations	227342
Number of reflections	28026
<I/σ(I)>	17.826		2.704
Completeness [%]	99.9	100	99.5
Redundancy	7.6	9.8	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.75	277.15	PEG 3350, lithium sulphate, Tris chloride