8ZHV

Structure of 3-amino-3-carboxyltransferase in complex with SAH and nocardicin G in the biosynthesis of nocardicins

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-12
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.02
Spacegroup name	P 21 21 21
Unit cell lengths	48.221, 76.582, 146.758
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.810 - 2.130
R-factor	0.1853
Rwork	0.182
R-free	0.22950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.007
RMSD bond angle	0.952
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.920	2.190
High resolution limit [Å]	2.130	2.130
Rmerge	0.140	0.887
Number of reflections	31289	2544
<I/σ(I)>	11.1	2.2
Completeness [%]	100.0	100
Redundancy	7.5	7.8
CC(1/2)	0.997	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	20% (w/v) PEG 3350, 200 mM Ammonium nitrate pH 6.3