5CDM

2.5A structure of QPT-1 with S.aureus DNA gyrase and DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-07-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9173
Spacegroup name	P 61
Unit cell lengths	93.884, 93.884, 412.482
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.785 - 2.500
R-factor	0.1652
Rwork	0.163
R-free	0.19230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xcs
RMSD bond length	0.010
RMSD bond angle	1.135
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.785	36.785	2.640
High resolution limit [Å]	2.500	7.910	2.500
Rmerge		0.068	0.447
Rmeas	0.123
Rpim	0.073	0.047	0.358
Total number of observations	166459	5927	21033
Number of reflections	67361
<I/σ(I)>	6.7	13.9	1.9
Completeness [%]	95.4	94	94.5
Redundancy	2.5	2.8	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.2	293	150mM BisTris pH6.2, 11% PEG 5000 MME