4U40

Mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4) Bound to AMPPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-31
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	80.339, 87.595, 91.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.169 - 2.300
R-factor	0.2014
Rwork	0.198
R-free	0.26150
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.136
Data scaling software	SCALEPACK
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.073	0.046	0.586
Total number of observations	179281
Number of reflections	29367
<I/σ(I)>	9.6
Completeness [%]	100.0	99.7	100
Redundancy	6.1	5.7	6.2

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