6TA2

Human NAMPT in complex with nicotinic acid mononucleotide and phosphate

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	2018-09-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	60.795, 106.711, 83.093
Unit cell angles	90.00, 96.72, 90.00

Refinement procedure

Resolution	82.520 - 1.680
R-factor	0.1866
Rwork	0.185
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dhd
RMSD bond length	0.010
RMSD bond angle	1.040
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	1.710
High resolution limit [Å]	1.680	1.680
Rmerge	0.104	1.184
Rmeas	0.140	1.570
Rpim	0.092	1.023
Number of reflections	119105	5854
<I/σ(I)>	7.5	1.2
Completeness [%]	99.5	99.5
Redundancy	3.8	3.8
CC(1/2)	0.996	0.529

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	281	100 mM Bis Tris propane, 20 mM sodium potassium phosphate, 22% PEG3350, 10 mM NAMN