7PQI

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9999
Spacegroup name	P 41 21 2
Unit cell lengths	42.869, 42.869, 256.192
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.130 - 1.900
R-factor	0.2176
Rwork	0.216
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yd9
RMSD bond length	0.008
RMSD bond angle	1.435
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]	256.190	256.190	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.223	0.046	2.620
Rmeas	0.228	0.047	2.668
Rpim	0.044	0.011	0.504
Total number of observations	530228	4504	34649
Number of reflections	20179	270	1269
<I/σ(I)>	8.8	27.1	1.2
Completeness [%]	100.0	99.9	100
Redundancy	26.3	16.7	27.3
CC(1/2)	0.998	0.999	0.894

Crystallization Conditions

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