8DSI

Human NAMPT in complex with substrate NAM

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	2019-08-16
Detector	RAYONIX MX-300
Wavelength(s)	0.9787
Spacegroup name	P 1 21 1
Unit cell lengths	60.816, 106.625, 83.030
Unit cell angles	90.00, 96.70, 90.00

Refinement procedure

Resolution	19.891 - 1.430
R-factor	0.1618
Rwork	0.161
R-free	0.18060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e5d
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.891	19.890	1.450
High resolution limit [Å]	1.430	7.830	1.430
Rmerge	0.055	0.024	0.850
Rmeas	0.065	0.028	1.177
Rpim	0.033	0.015	0.811
Total number of observations		4184	13022
Number of reflections	191396	1155	7807
<I/σ(I)>	11.8	39.1	0.8
Completeness [%]	99.0	94	81.7
Redundancy	3.6	3.6	1.7
CC(1/2)	0.999	0.998	0.374

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