7NGX

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	122.100, 122.100, 33.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.640 - 1.240
R-factor	0.1865
Rwork	0.186
R-free	0.20460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nio
RMSD bond length	0.015
RMSD bond angle	1.863
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]	38.640	1.260
High resolution limit [Å]	1.240	1.240
Number of reflections	71835	3117
<I/σ(I)>	17.8	1
Completeness [%]	98.9
Redundancy	11.9
CC(1/2)	1.000	0.406

Crystallization Conditions

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