4U3Y

Apo Mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	80.407, 80.839, 92.953
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.930 - 1.450
R-factor	0.1838
Rwork	0.183
R-free	0.20690
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.030
Data scaling software	SCALEPACK
Refinement software	BUSTER (2.11.4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.500
High resolution limit [Å]	1.450	3.120	1.450
Rmerge	0.062	0.029	0.741
Total number of observations	779291
Number of reflections	108043
<I/σ(I)>	12.7
Completeness [%]	100.0	100	100
Redundancy	7.2	7.3	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	292	0.2 M potassium citrate, pH 8.3, 20% PEG 3350