6KQL

Thermus thermophilus initial transcription complex comprising sigma A and 5'-triphosphate RNA of 4 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	2012-10-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.075
Spacegroup name	C 1 2 1
Unit cell lengths	183.802, 103.166, 295.560
Unit cell angles	90.00, 99.12, 90.00

Refinement procedure

Resolution	44.844 - 2.890
R-factor	0.208
Rwork	0.207
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g7h
RMSD bond length	0.010
RMSD bond angle	1.040
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]	45.000	45.000	2.930
High resolution limit [Å]	2.880	7.800	2.880
Rmerge	0.110	0.076	0.489
Total number of observations	450274
Number of reflections	121378	6249	6033
<I/σ(I)>	10.8
Completeness [%]	99.9	99.5	99.1
Redundancy	3.7	3.6	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