4OBP

MAP4K4 in complex with inhibitor (compound 29), 6-(2-FLUOROPYRIDIN-4-YL)PYRIDO[3,2-D]PYRIMIDIN-4-AMINE

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	2012-10-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	80.302, 88.688, 91.218
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.270 - 2.270
R-factor	0.2056
Rwork	0.203
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.090
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall
Low resolution limit [Å]	91.200
High resolution limit [Å]	2.270
Number of reflections	30881
Completeness [%]	99.9

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, vapor diffusion, sitting drop, temperature 292K