5J5P

AMP-PNP-stabilized ATPase domain of topoisomerase IV from Streptococcus pneumoniae, complex type I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91915
Spacegroup name	C 2 2 21
Unit cell lengths	134.440, 136.460, 136.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.177 - 1.970
R-factor	0.1516
Rwork	0.150
R-free	0.17400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	derived from 1EI1
RMSD bond length	0.017
RMSD bond angle	1.211
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.177	2.040
High resolution limit [Å]	1.970	1.970
Rmerge	0.063	0.367
Number of reflections	88222
<I/σ(I)>	6.4	1.7
Completeness [%]	99.8	99.6
Redundancy	6.68	7
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	297	0.1 M KCl, 10 mM MgCl2, 50 mM Tris-Cl, 30% PEG 400.