7PTG

Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL2888

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-20
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9796
Spacegroup name	P 1 21 1
Unit cell lengths	52.572, 47.865, 75.287
Unit cell angles	90.00, 93.46, 90.00

Refinement procedure

Resolution	41.890 - 2.200
R-factor	0.1962
Rwork	0.194
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ptf
RMSD bond length	0.010
RMSD bond angle	1.524
Data reduction software	DIALS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.860	41.860	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.219	0.069	1.193
Rmeas	0.237	0.075	1.296
Rpim	0.091	0.030	0.502
Total number of observations		1813	10689
Number of reflections	19239	301	1638
<I/σ(I)>	5.9	17	1.5
Completeness [%]	100.0	98.9	100
Redundancy	6.8	6	6.5
CC(1/2)	0.991	0.994	0.646

Crystallization Conditions

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