7ENQ

Crystal structure of human NAMPT in complex with compound NAT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	86.241, 93.627, 242.614
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.610 - 2.205
R-factor	0.1808
Rwork	0.178
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e5b
RMSD bond length	0.003
RMSD bond angle	0.596
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]	49.610	2.280
High resolution limit [Å]	2.200	2.205
Rmerge	0.140	0.140
Rmeas	0.149	0.149
Rpim	0.045	0.045
Number of reflections	88420	88420
<I/σ(I)>	19.8	19.8
Completeness [%]	88.6	88.6
Redundancy	10.2	10.2
CC(1/2)	0.984	0.984

Crystallization Conditions

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