8DSE

Human NAMPT in complex with substrate NAM and activator quercitrin

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	2019-06-22
Detector	RAYONIX MX-300
Wavelength(s)	0.9787
Spacegroup name	P 1 21 1
Unit cell lengths	60.865, 106.786, 82.689
Unit cell angles	90.00, 96.61, 90.00

Refinement procedure

Resolution	19.858 - 1.428
R-factor	0.1658
Rwork	0.165
R-free	0.18350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e5d
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.860	19.860	1.450
High resolution limit [Å]	1.428	7.820	1.430
Rmerge	0.081	0.042	0.454
Rmeas	0.095	0.049	0.632
Rpim	0.049	0.026	0.438
Total number of observations		4132	11890
Number of reflections	190913	1153	6809
<I/σ(I)>	7.7	16.4	1.1
Completeness [%]	98.5	93.8	70.8
Redundancy	3.5	3.6	1.7
CC(1/2)	0.996	0.995	0.672

Crystallization Conditions

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