8CYF

WhiB3 bound to SigmaAr4-RNAP Beta flap tip chimera and DNA

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	2021-05-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9787
Spacegroup name	P 21 21 21
Unit cell lengths	50.697, 72.934, 95.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.150 - 2.440
R-factor	0.2238
Rwork	0.222
R-free	0.25130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8cwr
RMSD bond length	0.018
RMSD bond angle	2.228
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.440	2.440
Rmerge	0.128	1.344
Rmeas	0.132	0.508
Rpim	0.034	1.441
Number of reflections	13547	617
<I/σ(I)>	25.4	1.19
Completeness [%]	99.4	94.6
Redundancy	15.3	6.9
CC(1/2)	0.987	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M Ca(Ac)2, 0.1 M Na Cacodylate, pH 6.5, 10%~13% PEG8000