4DDT

Thermotoga maritima reverse gyrase, C2 FORM 2

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	2011-10-17
Detector	DECTRIS PILATUS 6M
Spacegroup name	C 1 2 1
Unit cell lengths	186.945, 104.433, 96.743
Unit cell angles	90.00, 116.61, 90.00

Refinement procedure

Resolution	48.226 - 3.200
R-factor	0.2186
Rwork	0.216
R-free	0.26980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1GL9 WITH H1 AND H2 DOMAINS REPLACED BY 3OIY
RMSD bond length	0.004
RMSD bond angle	0.752
Data reduction software	XDS ((VERSION December 6)
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_842))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.230	3.300
High resolution limit [Å]	3.200	3.200
Rmerge	0.197	0.683
Number of reflections	27506
<I/σ(I)>	4.55	1.11
Completeness [%]	99.6	99.1
Redundancy	3.56	3.59

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	295	0.2M K/Na tartrate pH7.4, 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K