4WUD

N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from no salt condition

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	2011-09-21
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.917
Spacegroup name	C 2 2 21
Unit cell lengths	87.800, 141.480, 80.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.540 - 1.950
R-factor	0.1864
Rwork	0.185
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ei1
RMSD bond length	0.010
RMSD bond angle	1.343
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]	27.540	27.540	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.058	0.028	0.833
Rpim	0.026	0.013	0.372
Total number of observations	217252	2532	15998
Number of reflections	36686
<I/σ(I)>	15.9	40	2.3
Completeness [%]	99.7	97.3	99.7
Redundancy	5.9	5.5	6
CC(1/2)	0.999	0.999	0.650

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