5ZX2

Mycobacterium tuberculosis RNA polymerase transcription initiation complex with ECF sigma factor sigma H and 7nt RNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	129.824, 164.027, 214.792
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.941 - 2.800
R-factor	0.2207
Rwork	0.220
R-free	0.25460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tw1
RMSD bond length	0.005
RMSD bond angle	0.621
Data reduction software	HKL-2000 (v716)
Data scaling software	HKL-2000 (v716)
Phasing software	PHENIX (1.10.1_2155)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.164	0.053	1.430
Rmeas	0.175	0.057	1.524
Rpim	0.059	0.020	0.518
Total number of observations	963049
Number of reflections	113375	5941	5564
<I/σ(I)>	6.9
Completeness [%]	99.8	98.1	99.5
Redundancy	8.5	7.6	8.4
CC(1/2)		0.997	0.547

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	2% Tacsimate pH 5.0, 0.1 M Sodium citrate pH5.6, 16 % PEG3350