5J5Q

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	124.950, 72.740, 222.960
Unit cell angles	90.00, 91.89, 90.00

Refinement procedure

Resolution	60.759 - 2.830
R-factor	0.1876
Rwork	0.184
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	derived from 1EI1
RMSD bond length	0.026
RMSD bond angle	2.330
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]	60.759	2.920
High resolution limit [Å]	2.830	2.830
Rmerge	0.047	0.466
Number of reflections	48001
<I/σ(I)>	2.5	1.5
Completeness [%]	99.7	99.8
Redundancy	3.31	3.3
CC(1/2)	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297	5 mM MgCl2, 50 mM HEPES, 25% PEG MME 550