6L74

Thermus thermophilus initial transcription complex comprising sigma A and 5'-triphosphate RNA of 2 nt

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.075
Spacegroup name	C 1 2 1
Unit cell lengths	183.071, 103.498, 295.128
Unit cell angles	90.00, 99.17, 90.00

Refinement procedure

Resolution	44.922 - 3.120
R-factor	0.1916
Rwork	0.191
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g7h
RMSD bond length	0.009
RMSD bond angle	0.583
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.000	45.000	3.150
High resolution limit [Å]	3.100	8.400	3.100
Rmerge	0.141	0.069	0.744
Total number of observations	348016
Number of reflections	96680	5015	4780
<I/σ(I)>	6.9
Completeness [%]	99.9	99.8	99
Redundancy	3.6	3.7	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.05 M Magnesium chloride, 0.2 M Potassium chloride, 0.1 M Tris-HCl pH8.0, 10% PEG 4000