5UH7

Crystal structure of beta'MtbSI of Mycobacterium tuberculosis RNA polymerase

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	2015-11-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97925
Spacegroup name	P 1 21 1
Unit cell lengths	40.753, 97.500, 53.741
Unit cell angles	90.00, 93.30, 90.00

Refinement procedure

Resolution	36.080 - 2.199
R-factor	0.2225
Rwork	0.220
R-free	0.24620
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.075	0.043	0.508
Rmeas	0.086	0.049	0.593
Rpim	0.040	0.024	0.302
Total number of observations	91896
Number of reflections	21229
<I/σ(I)>	11
Completeness [%]	99.4	97.8	96.8
Redundancy	4.3	4.4	3.5
CC(1/2)		0.994	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	100 mM sodium citrate tribasic dihydrate, pH 5.5, and 22% PEG1000