5Z9E

Bacterial GyrB ATPase domain in complex with a chemical fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	61.379, 68.558, 102.701
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.020 - 1.800
R-factor	0.19568
Rwork	0.194
R-free	0.22222
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4duh
RMSD bond length	0.009
RMSD bond angle	1.307
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.020	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.063	0.374
Number of reflections	39968	3961
<I/σ(I)>	40.4	5.4
Completeness [%]	97.9	99.3
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		285	0.1M Tris-HCl pH 7.5, 2.20M (NH4)2HPO4, 10mM 2-aminobenzimidazole