4O28

Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors

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]	93
Detector technology	CCD
Collection date	2013-01-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97397
Spacegroup name	P 1 21 1
Unit cell lengths	60.327, 106.208, 83.651
Unit cell angles	90.00, 96.71, 90.00

Refinement procedure

Resolution	46.365 - 2.000
R-factor	0.152
Rwork	0.150
R-free	0.19380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.056
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	71575
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1