7UGW

M. tuberculosis DNA gyrase cleavage core bound to DNA and evybactin

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	P 21 21 21
Unit cell lengths	83.075, 105.088, 250.183
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.440 - 3.000
R-factor	0.22
Rwork	0.218
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bs8
RMSD bond length	0.013
RMSD bond angle	1.540
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.460	3.107
High resolution limit [Å]	3.000	3.000
Rmerge	0.140
Rmeas	0.155
Rpim	0.066
Number of reflections	44612	4388
<I/σ(I)>	10.44
Completeness [%]	99.6
Redundancy	4
CC(1/2)	0.995	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	7-12% PEG10K; 100mM MES pH 6.0; 200mM magnesium acetate