7PQM

Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2888

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	2021-02-11
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	120.634, 48.293, 82.692
Unit cell angles	90.00, 123.85, 90.00

Refinement procedure

Resolution	43.540 - 1.550
R-factor	0.1823
Rwork	0.180
R-free	0.22350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7pqi
RMSD bond length	0.006
RMSD bond angle	1.235
Data reduction software	DIALS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.500	43.500	1.580
High resolution limit [Å]	1.550	8.490	1.550
Rmerge	0.105	0.045	1.550
Rmeas	0.110	0.047	1.625
Rpim	0.033	0.014	0.482
Total number of observations		4016	30739
Number of reflections	57543	384	2777
<I/σ(I)>	8.9	48.6	0.5
Completeness [%]	99.9	99.3	99
Redundancy	10.9	10.5	11.1
CC(1/2)	0.999	0.998	0.660

Crystallization Conditions

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