9ULI

Drosophila melanogaster Nicotinamidase in Complex with Inhibitor CN5

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	2025-03-26
Detector	DECTRIS PILATUS3 X CdTe 1M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	75.154, 70.110, 76.464
Unit cell angles	90.00, 94.44, 90.00

Refinement procedure

Resolution	43.580 - 1.659
R-factor	0.2221
Rwork	0.221
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	1.096
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	1.700
High resolution limit [Å]	1.659	7.320	1.660
Rmerge	0.154	0.081
Number of reflections	46241	557	3363
<I/σ(I)>	15.22
Completeness [%]	98.8
Redundancy	6.53
CC(1/2)			0.051

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES, 1.0 M Sodium citrate (pH 7.5)