4WUB

N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from 100 mM KCl condition

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-03-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	C 2 2 21
Unit cell lengths	87.880, 140.900, 79.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.740 - 1.750
R-factor	0.1799
Rwork	0.179
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ei1
RMSD bond length	0.009
RMSD bond angle	1.251
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.740	36.740	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.059	0.045	0.849
Rpim	0.026	0.021	0.404
Total number of observations	298692	3373	19421
Number of reflections	50058
<I/σ(I)>	19.1	43.7	2
Completeness [%]	99.9	98.7	99.9
Redundancy	6	5.4	5.3
CC(1/2)	0.998	0.997	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	15-25% PEG 3350, 2 mM MgCl2, 100 mM Tris-HCl pH 8.0