9IAL

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978565
Spacegroup name	P 21 21 21
Unit cell lengths	96.489, 111.094, 163.951
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.040 - 3.430
R-factor	0.2033
Rwork	0.200
R-free	0.23690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.716
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]	49.040	3.700
High resolution limit [Å]	3.430	3.430
Number of reflections	18348	917
<I/σ(I)>	7.7
Completeness [%]	75.6
Redundancy	3
CC(1/2)	0.997	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.2	277.15	0.125 M Tri-sodium Citrate pH 5.2, 31 % w/v PEG3350, 6.7 % xylitol