6VCG

Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, cobalt form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979364
Spacegroup name	P 61
Unit cell lengths	108.010, 108.010, 491.610
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.440 - 2.300
R-factor	0.2384
Rwork	0.238
R-free	0.25380
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6vcf
RMSD bond length	0.006
RMSD bond angle	1.347
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.300	2.300
Rmerge	0.143	2.173
Number of reflections	142530	22771
<I/σ(I)>	10.59	0.79
Completeness [%]	99.8	98.8
Redundancy	8.8
CC(1/2)	0.998	0.440

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	22% Sokalan PA 25 CL 0.1 M MES-NaOH pH 6 0.1 M NaCl 10% xylitol 5% glycerol