8IVU

Crystal Structure of Human NAMPT in complex with A4276

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	97.560, 116.690, 195.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.708 - 2.090
R-factor	0.205423269196
Rwork	0.204
R-free	0.23133
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.580
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1-2575-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.710	2.150
High resolution limit [Å]	2.090	2.090
Rmeas	0.203
Number of reflections	132238	12302
<I/σ(I)>	8.8
Completeness [%]	99.9
Redundancy	13.8
CC(1/2)		0.594

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	283.15	0.1M sodium phosphate pH 7.0, 0.2M sodium chloride, 25% (w/v) polyethylene glycol (PEG) 3350