9IAM

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

This is a non-PDB format compatible entry.

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	105.003, 170.134, 319.697
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.300 - 3.610
R-factor	0.194
Rwork	0.192
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.911
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.300	4.060
High resolution limit [Å]	3.610	3.610
Number of reflections	43506	2417
<I/σ(I)>	5.6
Completeness [%]	92.2
Redundancy	2
CC(1/2)	0.993	0.573

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.125 M Tri-sodium Citrate pH 5.2, 38 % w/v PEG3350, 5.6 % xylitol