4TMA

Crystal structure of gyrase bound to its inhibitor YacG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	107.210, 114.460, 462.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.323 - 3.300
R-factor	0.2447
Rwork	0.243
R-free	0.28270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nuh
RMSD bond length	0.009
RMSD bond angle	1.295
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.300
Rmerge	0.083
Number of reflections	67289
<I/σ(I)>	8.1
Completeness [%]	98.8	99.2
Redundancy	2.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG 3350, sodium cacodylate pH 5.0, potassium thiocyanate, spermidine, ZnCl2