4XTJ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	87.520, 140.910, 79.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.230 - 1.920
R-factor	0.1854
Rwork	0.184
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ei1
RMSD bond length	0.009
RMSD bond angle	1.271
Data scaling software	Aimless (0.1.29)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.230	35.230	1.970
High resolution limit [Å]	1.920	8.590	1.920
Rmerge	0.061	0.020	0.915
Rpim	0.029	0.010	0.434
Total number of observations	199461	2072	14033
Number of reflections	37803
<I/σ(I)>	18.5	58.9	1.9
Completeness [%]	99.6	93.8	96.2
Redundancy	5.3	4.6	5.3
CC(1/2)	0.999	0.999	0.699

Crystallization Conditions

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