7CB8

Structure of a FIC-domain protein from Mycobacterium marinum in complex with CDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97990
Spacegroup name	P 21 21 21
Unit cell lengths	76.066, 107.900, 110.588
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.488 - 2.600
R-factor	0.1973
Rwork	0.195
R-free	0.24840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zcn
RMSD bond length	0.008
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1-2575-000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.210	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.202	0.871
Rmeas	0.230	0.992
Rpim	0.108	0.460
Number of reflections	27934	3389
<I/σ(I)>	6.5	1.6
Completeness [%]	97.8	99
Redundancy	4.1	4.2
CC(1/2)	0.980	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.6	293	0.2M Ammonium sulfate, 0.1M Sodium acetate trihydrate, and 25% (w/v) PEG 4,000