6KQF

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-29
Detector	ADSC QUANTUM 270
Wavelength(s)	1.1
Spacegroup name	C 1 2 1
Unit cell lengths	183.644, 103.640, 296.186
Unit cell angles	90.00, 98.95, 90.00

Refinement procedure

Resolution	48.846 - 2.450
R-factor	0.2001
Rwork	0.199
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g7h
RMSD bond length	0.015
RMSD bond angle	1.026
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]	50.000	50.000	2.490
High resolution limit [Å]	2.450	6.650	2.450
Rmerge	0.092	0.049	0.826
Total number of observations	863164
Number of reflections	201268	10361	9945
<I/σ(I)>	8.9
Completeness [%]	99.9	99.9	99.8
Redundancy	4.3	4.2	3.5

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