3FE3

Crystal structure of the kinase MARK3/Par-1: T211A-S215A double mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-13
Detector	MX-225
Wavelength(s)	0.91841
Spacegroup name	C 1 2 1
Unit cell lengths	96.520, 95.330, 111.080
Unit cell angles	90.00, 106.39, 90.00

Refinement procedure

Resolution	51.850 - 1.900
R-factor	0.199
Rwork	0.197
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2HAK-E (52-304)
RMSD bond length	0.023
RMSD bond angle	1.912
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (refmac_5.4.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.300	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.037	0.405
Number of reflections	75983
<I/σ(I)>	20.89	3.51
Completeness [%]	99.9	99.6
Redundancy	4.95	3.71

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	100mM Hepes, 200mM calcium chloride, 15-18% PEG 3350, 5mM DTT , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K