6PCM

Crystal Structure of Mycobacterium smegmatis Topoisomerase I with ssDNA bound to both N- and C-terminal domains

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	2017-07-03
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	133.325, 135.067, 145.087
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.442 - 3.107
R-factor	0.2279
Rwork	0.225
R-free	0.27510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cqi
RMSD bond length	0.002
RMSD bond angle	0.443
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.500	3.150
High resolution limit [Å]	3.100	3.100
Rmerge	0.073	0.849
Rmeas	0.083	0.938
Rpim	0.037	0.391
Number of reflections	47334	2351
<I/σ(I)>	29.9	1.7
Completeness [%]	98.9	99.5
Redundancy	4.9	5.4
CC(1/2)		0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.1M Tris:HCl, 1.5M lithium Sulfate