9FOY

Ternary complex of a Mycobacterium tuberculosis DNA gyrase core fusion with DNA and the inhibitor AMK32b

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-11
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	82.041, 131.703, 96.281
Unit cell angles	90.00, 97.23, 90.00

Refinement procedure

Resolution	69.230 - 2.800
R-factor	0.28059
Rwork	0.279
R-free	0.30408
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.148
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.230	2.890
High resolution limit [Å]	2.800	2.800
Rmerge	0.414	1.731
Rmeas	0.447	1.875
Rpim	0.167	0.715
Total number of observations	355596	31268
Number of reflections	50035	4567
<I/σ(I)>	4.9	0.9
Completeness [%]	100.0
Redundancy	7.1	6.8
CC(1/2)	0.959	0.414

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	NULL