5UJ1

Crystal structure of Mycobacterium tuberculosis Topoisomerase I at 2.15A resolution limit

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	2016-07-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97921
Spacegroup name	P 21 21 21
Unit cell lengths	63.783, 93.588, 140.571
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.233 - 2.153
R-factor	0.1704
Rwork	0.168
R-free	0.21050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d5h
RMSD bond length	0.007
RMSD bond angle	0.804
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]	47.233	2.180
High resolution limit [Å]	2.150	2.150
Rmerge	0.094	0.800
Rpim	0.044	0.391
Number of reflections	46076	2263
<I/σ(I)>	17.4	1.9
Completeness [%]	99.5	99
Redundancy	5.4	4.8
CC(1/2)		0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2M Potassium sodium tartrate, 20% (w/v) PEG3350