8CWR

Complex structure of WhiB3 and the SigmaAr4-RNAP Beta flap tip chimera in space group R3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	H 3
Unit cell lengths	120.809, 120.809, 31.758
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.870 - 1.500
R-factor	0.1843
Rwork	0.183
R-free	0.21220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8cwt
RMSD bond length	0.011
RMSD bond angle	1.290
Data reduction software	HKL-3000 (v1.0)
Data scaling software	HKL-3000 (v1.0)
Phasing software	AutoSol (v1.0)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.077	2.160
Rmeas	0.079	2.239
Rpim	0.018	0.578
Number of reflections	27421	2696
<I/σ(I)>	45.4	1.6
Completeness [%]	99.8	99.7
Redundancy	18.1	14.2
CC(1/2)	1.000	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	10-20 mM NiCl2, 0.8-1.0 M Li2SO4