9ULG

Drosophila melanogaster Nicotinamidase in Complex with Inhibitor CN3

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	74.754, 70.219, 76.150
Unit cell angles	90.00, 94.72, 90.00

Refinement procedure

Resolution	43.541 - 1.950
R-factor	0.2499
Rwork	0.245
R-free	0.31210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.025
RMSD bond angle	1.220
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	2.000
High resolution limit [Å]	1.950	8.560	1.950
Rmerge			4.386
Number of reflections	28576	351	2098
<I/σ(I)>	8
Completeness [%]	99.5
Redundancy	6.5
CC(1/2)	0.975	0.986

Crystallization Conditions

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