6FQV

2.60A BINARY COMPLEX OF S.AUREUS GYRASE with UNCLEAVED DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	93.280, 124.640, 155.240
Unit cell angles	90.00, 95.65, 90.00

Refinement procedure

Resolution	19.910 - 2.600
R-factor	0.2014
Rwork	0.200
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cdr
RMSD bond length	0.009
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.102	1.020
Number of reflections	107487	5291
<I/σ(I)>	9.3	1.3
Completeness [%]	99.1	99.3
Redundancy	4.5	4.6
CC(1/2)	0.994	0.527

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.9	293	Complex made as 13uls of protein (24mgs/ml in 20mM HEPES, 100mM Na2SO4, 5mM MnCl2, pH 7.0) + 1.5ul of 40mM MgCl2 in 15% glycerol, 3ul of DNA (2mM duplex = 4mM monomer in water) + 2uls of 50% glycerol. Crystallisation buffer 9% PEG 5000mme, 80mM BisTris 5.9. 0.7ul complex + 0.8ul crystallisation buffer. CRYO:20% glycerol + 10.8% PEG 5000MME, 60mM BisTris 5.9,.