6TAC

Human NAMPT deletion mutant in complex with nicotinamide mononucleotide, pyrophosphate, and Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	61.017, 106.666, 83.549
Unit cell angles	90.00, 96.62, 90.00

Refinement procedure

Resolution	60.610 - 1.600
R-factor	0.1441
Rwork	0.143
R-free	0.17080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dhd
RMSD bond length	0.009
RMSD bond angle	1.032
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.077	0.658
Rmeas	0.104	0.884
Rpim	0.070	0.586
Number of reflections	138876	6869
<I/σ(I)>	8	1.5
Completeness [%]	99.5	99.5
Redundancy	3.7	3.6
CC(1/2)	0.997	0.637

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	100 mM Bis Tris propane, 200 mM NaF, 16% PEG3350, 10 mM Nam, 10 mM PRPP, 6 mM MgCl2