9ULF

Drosophila melanogaster Nicotinamidase in Complex with Inhibitor CN6

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	75.106, 70.496, 76.471
Unit cell angles	90.00, 94.18, 90.00

Refinement procedure

Resolution	43.608 - 1.949
R-factor	0.1876
Rwork	0.185
R-free	0.22080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.101
Data reduction software	HKL-2000 (3.24)
Data scaling software	SCALEPACK
Phasing software	PHASER (2.6.0)
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]	1.949	8.550	1.950
Number of reflections	29005	350	2120
<I/σ(I)>	11.95
Completeness [%]	99.4
Redundancy	6.58
CC(1/2)	0.986	0.982	0.640

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)