6CQI

2.42A Crystal structure of Mycobacterium tuberculosis Topoisomerase I in complex with an oligonucleotide MTS2-11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-04
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	68.777, 44.977, 129.229
Unit cell angles	90.00, 90.60, 90.00

Refinement procedure

Resolution	47.000 - 2.420
R-factor	0.2259
Rwork	0.224
R-free	0.26880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5UKT
RMSD bond length	0.004
RMSD bond angle	0.656
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.000	2.460
High resolution limit [Å]	2.420	2.420
Rmerge	0.087	0.641
Rpim	0.047	0.368
Number of reflections	29799	1268
<I/σ(I)>	19.5	1.2
Completeness [%]	97.1	82.4
Redundancy	4	3.2
CC(1/2)		0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	0.2 M ammonium phosphate dibasic, 20% w/v Polyethylene glycol 3,350