9WDD

Crystal structure of NAMPT-KPT-7523 complex

This is a non-PDB format compatible entry.

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	2023-07-31
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	60.837, 107.229, 83.386
Unit cell angles	90.00, 96.83, 90.00

Refinement procedure

Resolution	29.530 - 1.450
R-factor	0.1841
Rwork	0.184
R-free	0.19360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.139
Data scaling software	XDS
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.530	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.072	0.558
Number of reflections	331040	174470
<I/σ(I)>	1.33
Completeness [%]	89.2
Redundancy	4.92

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	22% PEG 3350, 5% Tacsimate (pH 8.0)