6KQM

Thermus thermophilus initial transcription complex comprising sigma A and 5'-triphosphate 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	2014-02-28
Detector	ADSC QUANTUM 270
Wavelength(s)	1.075
Spacegroup name	C 1 2 1
Unit cell lengths	184.730, 102.750, 295.710
Unit cell angles	90.00, 98.86, 90.00

Refinement procedure

Resolution	48.894 - 3.197
R-factor	0.2076
Rwork	0.205
R-free	0.25190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g7h
RMSD bond length	0.008
RMSD bond angle	1.065
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	3.260
High resolution limit [Å]	3.197	8.670	3.200
Rmerge	0.141	0.053	0.982
Number of reflections	90513	4715	4306
<I/σ(I)>	6.2
Completeness [%]	99.8	100	97.6
Redundancy	5.2	5.1	4.3

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