4P8O

S. aureus gyrase bound to an aminobenzimidazole urea inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-21
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	143.460, 55.730, 50.800
Unit cell angles	90.00, 100.42, 90.00

Refinement procedure

Resolution	25.920 - 2.400
R-factor	0.1909
Rwork	0.188
R-free	0.23910
RMSD bond length	0.010
RMSD bond angle	1.130
Data scaling software	SCALEPACK
Refinement software	BUSTER-TNT (2.11.5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.440
High resolution limit [Å]	2.400	6.490	2.400
Rmerge	0.117	0.074	0.258
Total number of observations	41878
Number of reflections	15076
<I/σ(I)>	10.9
Completeness [%]	96.9	95.7	83
Redundancy	2.8	2.8	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	2M Ammonium sulfate, 100 mM Tris pH 8.0, 5-10% MPD