6O6N

Structure of the regulator FasR from Mycobacterium tuberculosis in complex with C20-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	P 41 21 2
Unit cell lengths	108.146, 108.146, 43.562
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.200 - 1.700
R-factor	0.182
Rwork	0.181
R-free	0.21000
Structure solution method	AB INITIO PHASING
RMSD bond length	0.010
RMSD bond angle	0.890
Data reduction software	TRUNCATE
Data scaling software	XSCALE
Phasing software	Arcimboldo
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.200	20.200	1.800
High resolution limit [Å]	1.700	5.070	1.700
Rmerge	0.065	0.027	1.468
Rmeas	0.067	0.028	1.523
Number of reflections	28969	1229	4563
<I/σ(I)>	22.58	68.9	1.6
Completeness [%]	99.8	99.8	98.8
Redundancy	14.181	12.545	13.921
CC(1/2)	1.000	1.000	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.7	293	2.2 M sodium chloride, 0.1 M sodium acetate trihydrate