6Y4B

Structure of cyclodipeptide synthase from Candidatus Glomeribacter gigasporarum bound to Phe-tRNAPhe

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	2016-09-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9786
Spacegroup name	P 61 2 2
Unit cell lengths	254.834, 254.834, 69.410
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.160 - 5.000
R-factor	0.3047
Rwork	0.304
R-free	0.31580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mlp
RMSD bond length	0.002
RMSD bond angle	0.646
Data reduction software	XDS (1.17.1_3660)
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	5.300
High resolution limit [Å]	5.000	5.000
Number of reflections	6120	867
<I/σ(I)>	10.7	1
Completeness [%]	95.6	91.6
Redundancy	33.2	32
CC(1/2)	0.990	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		278	10% PEG8000, 0.17 M AcCa, 0.17 M Guanidinium hydrochloride, 0.1 M Hepes pH 7