8D5V

WhiB6 bound to the SigmaAr4-RNAP Beta flap tip chimera

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	2019-07-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	62.983, 66.540, 158.805
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.270 - 1.800
R-factor	0.2112
Rwork	0.210
R-free	0.23060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ono
RMSD bond length	0.010
RMSD bond angle	1.193
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.067	1.590
Rmeas	0.070	1.652
Rpim	0.020	0.442
Number of reflections	30736	3011
<I/σ(I)>	17.96	1.51
Completeness [%]	97.4	97.53
Redundancy	12.7	13.6
CC(1/2)	0.999	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	0.1 M Na Citrate pH 5.5, 20% PEG3000