8F7L

Human NAMPT in complex with substrate NAM and small molecule activator ZN-29-S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-01
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	60.888, 106.997, 83.603
Unit cell angles	90.00, 96.88, 90.00

Refinement procedure

Resolution	65.580 - 2.200
R-factor	0.2279
Rwork	0.226
R-free	0.26420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.977
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.16)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.580	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.113	0.396
Rmeas	0.132	0.478
Rpim	0.068	0.263
Total number of observations	200876	14322
Number of reflections	53951	4609
<I/σ(I)>	6.8	2.7
Completeness [%]	99.9
Redundancy	3.7	3.1
CC(1/2)	0.989	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	290	0.1 M Tris-HCl, pH 8.5, 0.2M NaCl, 20% glycerol and 13-18% PEG 3350