5CDP

2.45A structure of etoposide with S.aureus DNA gyrase and DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 61
Unit cell lengths	93.364, 93.364, 411.244
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.780 - 2.450
R-factor	0.178
Rwork	0.177
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xcs
RMSD bond length	0.008
RMSD bond angle	1.030
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	BUSTER-TNT (BUSTER 2.11.5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.490
High resolution limit [Å]	2.450	6.640	2.450
Rmerge	0.084	0.021	0.448
Total number of observations	199618
Number of reflections	70926
<I/σ(I)>	8.2
Completeness [%]	95.9	95.5	95.5
Redundancy	2.8	2.8	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	150mM Bistris pH6.2, 11% PEG 5000 MME