8TM7

Human NAMPT in complex with substrate NAM and small molecule activator NP-A3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2019-11-02
Detector	RAYONIX MX-300
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	60.560, 106.864, 83.222
Unit cell angles	90.00, 96.71, 90.00

Refinement procedure

Resolution	52.470 - 1.790
R-factor	0.17887
Rwork	0.178
R-free	0.19753
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e5d
RMSD bond length	0.007
RMSD bond angle	1.365
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.470	1.820
High resolution limit [Å]	1.790	1.790
Rmerge	0.087	0.755
Rmeas	0.102	0.991
Rpim	0.053	0.636
Total number of observations		10064
Number of reflections	98774	4745
<I/σ(I)>	8.7	1.2
Completeness [%]	99.8
Redundancy	3.6	2.1
CC(1/2)	0.996	0.594

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