35SZ

Structure of the Ntn hydrolase NcdG from nocardichelin biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	77
Detector technology	PIXEL
Collection date	2026-04-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97931
Spacegroup name	C 1 2 1
Unit cell lengths	173.391, 120.193, 112.204
Unit cell angles	90.00, 120.20, 90.00

Refinement procedure

Resolution	42.960 - 2.250
R-factor	0.1823
Rwork	0.180
R-free	0.22240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.873
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.960	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.325	1.605
Rpim	0.212	1.080
Number of reflections	94158	13660
<I/σ(I)>	5	1.5
Completeness [%]	100.0	100
Redundancy	6.6	6.3
CC(1/2)	0.972	0.534

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1 M Tris pH 8.5, 15% PEG 3350, 0.2 M magnesium chloride, Soaked in 5mM HSC and 16% glycerol before frozen