7MVS

DNA gyrase complexed with uncleaved DNA and Compound 7 to 2.6A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	77
Detector technology	PIXEL
Collection date	2020-11-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.54
Spacegroup name	P 61
Unit cell lengths	93.017, 93.017, 406.663
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.743 - 2.601
R-factor	0.19732038353
Rwork	0.196
R-free	0.25172
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xcs
RMSD bond length	0.003
RMSD bond angle	0.507
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.11.1_2575)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.743	2.694
High resolution limit [Å]	2.601	2.601
Rmerge	0.220
Rmeas	0.239
Rpim	0.093	0.660
Number of reflections	60022	5472
<I/σ(I)>	9.2
Completeness [%]	98.9	90.81
Redundancy	6.1
CC(1/2)	0.997	0.389

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	298	motherliquor: 80mM Bis-Tris, pH=6.2, 15.33% PEG 5000MME protein: 50mM HEPES, pH=7.5 1.2uL motherliquor : 0.8uL protein streaked with existing seed stock