6UUA

E. coli sigma-S transcription initiation complex with a mismatching CTP ("Fresh" crystal soaked with CTP for 2 hours)

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	2017-06-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	132.964, 153.829, 231.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.891 - 4.002
Rwork	0.302
R-free	0.36460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ipl
RMSD bond length	0.005
RMSD bond angle	1.176
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]	47.900	4.240
High resolution limit [Å]	4.000	4.000
Number of reflections	37926	5881
<I/σ(I)>	9.22	0.43
Completeness [%]	93.1	91.3
Redundancy	5.3	4.9
CC(1/2)	0.999	0.109

Crystallization Conditions

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