7YQQ

Crystal Structure of Xcc NAMPT and its complex with NMN

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979183
Spacegroup name	P 61 2 2
Unit cell lengths	115.740, 115.740, 318.110
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	57.870 - 2.220
R-factor	0.184
Rwork	0.183
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7yqo
Data reduction software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	106.040	2.280
High resolution limit [Å]	2.220	2.220
Number of reflections	63152	4525
<I/σ(I)>	21.8
Completeness [%]	99.9
Redundancy	37.2
CC(1/2)	0.999	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	ammonium tartrate, N,N-Bis(3-D-gluconamidopropyl) cholamide, N,N-Dimethyldecylamine-N-oxide, NMN