5CDR

2.65 structure of S.aureus DNA gyrase and artificially nicked DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 61
Unit cell lengths	93.395, 93.395, 410.583
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.740 - 2.650
R-factor	0.1888
Rwork	0.188
R-free	0.20970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xcs
RMSD bond length	0.008
RMSD bond angle	0.980
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	BUSTER-TNT (BUSTER 2.11.5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.700
High resolution limit [Å]	2.650	7.180	2.650
Rmerge	0.086	0.025	0.463
Total number of observations	189383
Number of reflections	58268
<I/σ(I)>	8.4
Completeness [%]	99.3	96.1	100
Redundancy	3.3	2.8	3.4

Crystallization Conditions

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