7DPS

E. coli GyrB ATPase domain in complex with Methyl 4-hydroxycinnamate

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	2018-12-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97907
Spacegroup name	P 21 21 21
Unit cell lengths	60.862, 67.568, 102.648
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.440 - 2.260
R-factor	0.21525
Rwork	0.213
R-free	0.25940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5z9b
RMSD bond length	0.017
RMSD bond angle	1.475
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.440	2.290
High resolution limit [Å]	2.250	2.250
Number of reflections	20505	991
<I/σ(I)>	21.174
Completeness [%]	99.6
Redundancy	6.5
CC(1/2)	0.957	0.897

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