6KQE

Thermus thermophilus initial transcription complex comprising sigma A and 5'-OH RNA of 4 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	2012-07-30
Detector	ADSC QUANTUM 270
Wavelength(s)	1.075
Spacegroup name	C 1 2 1
Unit cell lengths	184.567, 103.757, 295.981
Unit cell angles	90.00, 98.70, 90.00

Refinement procedure

Resolution	48.947 - 3.300
R-factor	0.2195
Rwork	0.217
R-free	0.25820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g7h
RMSD bond length	0.008
RMSD bond angle	1.074
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	3.360
High resolution limit [Å]	3.300	8.940	3.300
Rmerge	0.132	0.036	0.955
Total number of observations	282967
Number of reflections	83673	4355	4146
<I/σ(I)>	5
Completeness [%]	100.0	100	99.7
Redundancy	3.4	3.3	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, 10% PEG 4000