9IWT

Crystal structure of human NAMPT complexed with AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	86.170, 93.374, 241.942
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.510 - 2.020
R-factor	0.1871
Rwork	0.185
R-free	0.22670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.603
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.510	2.090
High resolution limit [Å]	2.020	2.020
Rmerge	0.110	0.110
Rmeas	0.109	0.109
Rpim	0.033	0.033
Number of reflections	115027	115027
<I/σ(I)>	23.2	1.74
Completeness [%]	89.1	89.11
Redundancy	10.5
CC(1/2)	0.997	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	sodium phosphate, PEG 3350, sodium chloride, DTT, BaCl2