6UTX

E. coli sigma-S transcription initiation complex with an empty bubble ("Old" crystal)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97920
Spacegroup name	P 21 21 21
Unit cell lengths	132.069, 153.300, 230.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.900 - 4.050
Rwork	0.279
R-free	0.34950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ipl
RMSD bond length	0.005
RMSD bond angle	1.232
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.942	4.290
High resolution limit [Å]	4.050	4.050
Number of reflections	38603	5969
<I/σ(I)>	8.19	0.56
Completeness [%]	99.3	97.1
Redundancy	5.6	5.65
CC(1/2)	0.998	0.181

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	PEG3350, sodium chloride, HEPES