9IAJ

Structure of cyclodipeptide synthase from Nocardia brasiliensis (Nbra-CDPS) in complex with RNA microhelices mimicking tRNA-Ala acceptor arm

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979260
Spacegroup name	P 21 21 21
Unit cell lengths	105.032, 170.328, 321.122
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.690 - 3.290
R-factor	0.2091
Rwork	0.208
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.705
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHENIX
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.352	3.537
High resolution limit [Å]	3.272	3.272
Number of reflections	67958	3398
<I/σ(I)>	7.1
Completeness [%]	75.8
Redundancy	2
CC(1/2)	0.993	0.390

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.125 M Tri-sodium Citrate pH 5.2, 34 % w/v PEG3350, xylitol 5,6%