6YD9

Ecoli GyrB24 with inhibitor 16a

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	2019-09-20
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	41.180, 67.143, 68.971
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.380 - 1.600
R-factor	0.1836
Rwork	0.182
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f86
RMSD bond length	0.010
RMSD bond angle	1.590
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.180	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.190	1.160
Rmeas	0.202	1.234
Number of reflections	25674	1062
<I/σ(I)>	7.2	1.8
Completeness [%]	98.9	86
Redundancy	12.7
CC(1/2)	0.993	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	0.1 M MIB pH 4.0; 25 % (w/v) PEG 1500