7YN2

Crystal structure of CcbD with methylthiolincosamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-02
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.080000
Spacegroup name	C 1 2 1
Unit cell lengths	192.059, 52.903, 90.938
Unit cell angles	90.00, 91.10, 90.00

Refinement procedure

Resolution	48.010 - 2.300
R-factor	0.2014
Rwork	0.200
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7yn1
RMSD bond length	0.008
RMSD bond angle	0.938
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.010	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.067	0.559
Number of reflections	40659	3958
<I/σ(I)>	16.9	2.8
Completeness [%]	99.1	99.1
Redundancy	6.9	7.2
CC(1/2)	0.999	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.02 M Tris-HCl (pH 6.7), 0.16 M magnesium chloride, 10% w/v PEG 8000