6IDO

Crystal structure of Klebsiella pneumoniae sigma4 of sigmaS fusing with the RNA polymerase beta-flap-tip-helix in complex with -35 element DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-03
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	I 4 2 2
Unit cell lengths	154.540, 154.540, 144.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.616 - 3.748
R-factor	0.2256
Rwork	0.223
R-free	0.25250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ipl
RMSD bond length	0.004
RMSD bond angle	0.676
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.616	3.880
High resolution limit [Å]	3.748	3.748
Rmerge	0.046	0.518
Number of reflections	13130	871
<I/σ(I)>	42.909	4.333
Completeness [%]	99.9	100
Redundancy	7.2	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	0.2 M Ammonium sulfate, 0.1 M Sodium acetate trihydrate (pH 4.6), and 25% w/v Polyethylene glycol 4,000.