7DQJ

E. coli GyrB ATPase domain in complex with 3,4-Dihydroxyacetophenone

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	61.460, 67.462, 102.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.350 - 1.920
R-factor	0.23685
Rwork	0.235
R-free	0.26306
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5z9b
RMSD bond length	0.006
RMSD bond angle	1.048
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]	56.350	1.990
High resolution limit [Å]	1.920	1.920
Number of reflections	33267	3290
<I/σ(I)>	22.526
Completeness [%]	99.7
Redundancy	6.5
CC(1/2)	0.980	0.944

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