8OFB

Crystal Structure of T. maritima reverse gyrase with a minimal latch, hexagonal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-03
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.00000
Spacegroup name	P 61 2 2
Unit cell lengths	90.833, 90.833, 571.878
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	75.850 - 2.390
R-factor	0.2447
Rwork	0.243
R-free	0.27240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
Data reduction software	xia2
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.660	78.660	2.590
High resolution limit [Å]	2.390	7.440	2.390
Rmerge	0.293	0.072	1.986
Rmeas	0.301	0.074	2.037
Rpim	0.069	0.018	0.449
Number of reflections	45491	2274	2276
<I/σ(I)>	7.5	18.1
Completeness [%]	94.8	99.9	67.4
Redundancy	18.7	15.5	20.3
CC(1/2)	0.997	0.999	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	54 microM protein in 50mM Tris/HCl, pH7.5, 500mM NaCl, 10mM MgCl2, 100 microM ZnCl2, 2mM BME mixed 1:1 with 0.1M Tris/HCl pH7.5, 19% PEG3350 0.29 M Ammonium Sulfate, total volume 400nL