6EP0

Enterococcus faecalis FIC protein in complex with AMP and calcium ion.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976247
Spacegroup name	P 41 21 2
Unit cell lengths	64.975, 64.975, 246.239
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.820 - 2.350
R-factor	0.22
Rwork	0.218
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5NUW
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.080	2.480
High resolution limit [Å]	2.350	2.350
Rmerge	0.139	1.146
Rpim	0.048	0.390
Number of reflections	23042	3273
<I/σ(I)>	13.1	2.3
Completeness [%]	100.0	100
Redundancy	16.7	17.8
CC(1/2)	0.996	0.925

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	50mM Tris pH 8.0, 100mM NaCl, 5mM AMP, 0.2M Calcium Chloride, 0.1M HEPES sodium salt pH 7.5, 28% (v/v) PEG 400