7DQI

E. coli GyrB ATPase domain in complex with Esculetin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	61.862, 67.601, 102.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.480 - 1.910
R-factor	0.23827
Rwork	0.238
R-free	0.25041
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5z9b
RMSD bond length	0.007
RMSD bond angle	1.065
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.480	1.980
High resolution limit [Å]	1.910	1.910
Number of reflections	33058	3255
<I/σ(I)>	26.324
Completeness [%]	96.8
Redundancy	6.7
CC(1/2)	0.998	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M Tris-HCl pH 7.5, 2.20 M (NH4)2HPO4, 10 mM 2-aminobenzimidazole