9NIK

Structure of E1277A mutant of the acyltransferase domain of NcdE, a multi-domain NRPS protein from nocardichelin biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	113
Detector technology	PIXEL
Collection date	2024-09-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92019
Spacegroup name	P 1 21 1
Unit cell lengths	33.619, 69.650, 38.229
Unit cell angles	90.00, 96.32, 90.00

Refinement procedure

Resolution	38.000 - 1.440
R-factor	0.1543
Rwork	0.153
R-free	0.17390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.018
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.650	1.470
High resolution limit [Å]	1.440	1.440
Rmerge	0.042	0.221
Rpim	0.026	0.152
Number of reflections	31587	1559
<I/σ(I)>	22.8
Completeness [%]	100.0
Redundancy	6.8
CC(1/2)	0.990	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	22% PEG 8000 and 0.1 M of HEPES pH 7.5 adjusted with NaOH (16.33 mg/ml protein)