4U41

MAP4K4 Bound to inhibitor compound 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 21 21 21
Unit cell lengths	79.874, 81.347, 93.322
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.290 - 2.200
R-factor	0.2027
Rwork	0.200
R-free	0.25930
RMSD bond length	0.007
RMSD bond angle	1.055
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	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.070	0.054	0.419
Total number of observations	151798
Number of reflections	31576
<I/σ(I)>	11
Completeness [%]	98.5	93.6	99.5
Redundancy	4.8	4.7	4.8

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