6KQN

Thermus thermophilus initial transcription complex comprising sigma A and 5'-triphosphate RNA of 6 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	2014-02-28
Detector	ADSC QUANTUM 270
Wavelength(s)	1.075
Spacegroup name	C 1 2 1
Unit cell lengths	184.621, 101.920, 296.110
Unit cell angles	90.00, 98.83, 90.00

Refinement procedure

Resolution	48.793 - 3.489
R-factor	0.2156
Rwork	0.213
R-free	0.25830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g7h
RMSD bond length	0.008
RMSD bond angle	0.998
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	3.560
High resolution limit [Å]	3.489	9.480	3.500
Rmerge	0.137	0.070	0.715
Number of reflections	65073	3558	2638
<I/σ(I)>	6.2
Completeness [%]	95.0	99.8	78.9
Redundancy	4.6	5.1	3.6

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