7NGU

Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-03
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	P 41 21 2
Unit cell lengths	121.968, 121.968, 33.728
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.060 - 1.260
R-factor	0.1909
Rwork	0.190
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nio
RMSD bond length	0.016
RMSD bond angle	1.978
Data reduction software	Aimless
Data scaling software	pointless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.060	1.280
High resolution limit [Å]	1.260	1.260
Number of reflections	67886	2552
<I/σ(I)>	15.3	1
Completeness [%]	98.0
Redundancy	12.3
CC(1/2)	0.999	0.577

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	PEG based