9IAK

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 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980112
Spacegroup name	P 21 21 21
Unit cell lengths	106.376, 170.504, 323.931
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.450 - 3.520
R-factor	0.2088
Rwork	0.208
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.758
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]	48.450	3.560
High resolution limit [Å]	3.510	3.520
Number of reflections	55530	2923
<I/σ(I)>	7.4
Completeness [%]	82.6
Redundancy	2
CC(1/2)	0.993	0.591

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277.15	0.625 M tri-Na citrate, 4.3% xylitol, 34% (w/v) PEG 3350