8BN6

Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL3021

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	2021-08-06
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	45.200, 115.650, 38.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.630 - 1.600
R-factor	0.1828
Rwork	0.181
R-free	0.22320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ptf
RMSD bond length	0.008
RMSD bond angle	1.392
Data reduction software	XDS
Data scaling software	Aimless (0.7.8)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.630	38.630	1.630
High resolution limit [Å]	1.600	8.760	1.600
Rmerge	0.097	0.021	2.649
Rmeas	0.101	0.022	2.759
Rpim	0.028	0.007	0.766
Total number of observations	363437	2237	17268
Number of reflections	27590	217	1351
<I/σ(I)>	13.8	56.8	1
Completeness [%]	100.0	99.4	100
Redundancy	13.2	10.3	12.8
CC(1/2)	1.000	1.000	0.655

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	NULL