5YT3

Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 S218D and S222D mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	132.170, 132.550, 91.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.930 - 2.900
R-factor	0.21299
Rwork	0.209
R-free	0.28928
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eqd
RMSD bond length	0.012
RMSD bond angle	1.835
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.930	3.060
High resolution limit [Å]	2.900	2.900
Number of reflections	35944	5211
<I/σ(I)>	68.1	19.3
Completeness [%]	99.9	100
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1M HEPES, 12%(w/v) PEG3350, 0.1M ammonium citrate,