6Z1A

Ternary complex of Staphylococcus aureus DNA gyrase with AMK12 and DNA

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	2019-06-23
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 61
Unit cell lengths	92.592, 92.592, 405.464
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	80.320 - 2.300
R-factor	0.181
Rwork	0.179
R-free	0.21670
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2xcs
RMSD bond length	0.010
RMSD bond angle	1.636
Data reduction software	DIALS
Data scaling software	Aimless (0.7.4)
Phasing software	REFMAC (5.8.0258)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	81.090	81.090	2.340
High resolution limit [Å]	2.300	12.170	2.300
Rmerge	0.193	0.036	2.017
Rmeas	0.198	0.037	2.085
Rpim	0.043	0.008	0.520
Total number of observations		12139	70928
Number of reflections	86845	618	4546
<I/σ(I)>	11.7	51.6	1.4
Completeness [%]	100.0	100	99.5
Redundancy	20.2	19.6	15.6
CC(1/2)	0.998	1.000	0.557

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	NULL