9U8M

Drosophila melanogaster Nicotinamidase in Complex with Inhibitor CN2

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	195
Detector technology	PIXEL
Collection date	2025-03-24
Detector	DECTRIS PILATUS3 X CdTe 1M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	74.863, 70.410, 76.524
Unit cell angles	90.00, 94.46, 90.00

Refinement procedure

Resolution	50.000 - 1.758
R-factor	0.1999
Rwork	0.198
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.071
Data reduction software	autoPX
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.800
High resolution limit [Å]	1.758	7.750	1.760
Rmerge	0.188	0.147
Number of reflections	39006	485	2843
<I/σ(I)>	10.74
Completeness [%]	99.0
Redundancy	6.52
CC(1/2)	0.981	0.972	0.207

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES, 1.1M Sodium citrate (pH 7.5)