6UU7

E. coli sigma-S transcription initiation complex with a 6-nt RNA and an NTP ("Old" crystal soaked with UTP, CTP, ddGTP, and dinucleotide ApG for 30 minutes)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	132.936, 153.772, 232.616
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.148 - 4.400
Rwork	0.344
R-free	0.38970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ipl
RMSD bond length	0.006
RMSD bond angle	1.399
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]	49.200	4.660
High resolution limit [Å]	4.400	4.400
Number of reflections	30874	4779
<I/σ(I)>	7.04	0.43
Completeness [%]	99.4	97.3
Redundancy	6.7	6.7
CC(1/2)	0.998	0.208

Crystallization Conditions

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