7FSF

CRYSTAL STRUCTURE OF T. MARITIMA REVERSE GYRASE ACTIVE SITE VARIANT Y851F

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	2020-05-19
Detector	EIGER 16M
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	183.930, 103.260, 95.670
Unit cell angles	90.00, 116.82, 90.00

Refinement procedure

Resolution	51.860 - 2.770
R-factor	0.2219
Rwork	0.219
R-free	0.27330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ddu
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.380	51.860	2.840
High resolution limit [Å]	2.770	12.380	2.770
Rmerge	0.351	0.105	5.921
Rmeas	0.367	0.111	6.182
Total number of observations	472832
Number of reflections	40789	488	2990
<I/σ(I)>	4.68	16.38	0.48
Completeness [%]	99.7	98	99.9
Redundancy	11.592	10.793	11.996
CC(1/2)	0.994	0.992	0.179

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	165 microM protein in 50mM Tris/HCl, pH7.5, 500mM NaCl, 10mM MgCl2, 100 microM ZnCl2, 2mM BME mixed 1:1 with 0.1M HEPES/NaOH pH 7.0, 30% Jeffamine ED-2001, total volume 200nL