6UTY

E. coli sigma-S transcription initiation complex with a mismatching CTP ("Old" crystal soaked with CTP 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)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	132.576, 152.729, 229.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.960 - 4.150
Rwork	0.302
R-free	0.37000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ipl
RMSD bond length	0.005
RMSD bond angle	1.150
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]	49.000	4.400
High resolution limit [Å]	4.150	4.150
Number of reflections	35751	5454
<I/σ(I)>	10.24	0.5
Completeness [%]	99.3	95.9
Redundancy	13.4	13.1
CC(1/2)	0.999	0.139

Crystallization Conditions

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