6KQH

Thermus thermophilus initial transcription complex comprising sigma A and 5'-OH RNA of 7 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	2012-06-05
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.067
Spacegroup name	C 1 2 1
Unit cell lengths	183.007, 103.566, 294.935
Unit cell angles	90.00, 99.20, 90.00

Refinement procedure

Resolution	39.817 - 3.180
R-factor	0.2052
Rwork	0.203
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g7h
RMSD bond length	0.008
RMSD bond angle	0.632
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]	40.000	40.000	3.260
High resolution limit [Å]	3.180	8.660	3.200
Rmerge	0.185	0.067	0.863
Number of reflections	85564	4723	4099
<I/σ(I)>	4.3
Completeness [%]	93.7	100	91.1
Redundancy	3.5	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