7PQL

Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2704

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	121.111, 48.436, 83.317
Unit cell angles	90.00, 124.17, 90.00

Refinement procedure

Resolution	43.650 - 1.600
R-factor	0.1638
Rwork	0.161
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7pqi
RMSD bond length	0.006
RMSD bond angle	1.283
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]	43.610	43.610	1.630
High resolution limit [Å]	1.600	8.760	1.600
Rmerge	0.090	0.024	1.638
Rmeas	0.098	0.026	1.853
Rpim	0.038	0.010	0.843
Total number of observations	345218	2295	11402
Number of reflections	52822	358	2479
<I/σ(I)>	13.1	82.3	0.6
Completeness [%]	99.7	99.4	94.3
Redundancy	6.5	6.4	4.6
CC(1/2)	0.998	1.000	0.427

Crystallization Conditions

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