6O6O

Structure of the regulator FasR from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-04-26
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 21 21 2
Unit cell lengths	86.130, 100.180, 38.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.780 - 1.630
R-factor	0.219
Rwork	0.219
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o6n
RMSD bond length	0.010
RMSD bond angle	0.900
Data reduction software	TRUNCATE
Data scaling software	Aimless (0.5.25)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.780	28.780	1.660
High resolution limit [Å]	1.630	8.930	1.630
Rmerge	0.039	0.026	0.467
Rmeas	0.046	0.032	0.549
Rpim	0.024	0.018	0.284
Total number of observations	147330	927	7005
Number of reflections	41807	313	1999
<I/σ(I)>	11.3	24.7	1.8
Completeness [%]	98.6	97.4	96.4
Redundancy	3.5	3	3.5
CC(1/2)	0.999	0.997	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	22% v/v PEG400