7MLB

Crystal structure of Thermus thermophilus transcription initiation complex with 5nt RNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97907
Spacegroup name	C 1 2 1
Unit cell lengths	186.172, 104.266, 299.017
Unit cell angles	90.00, 97.95, 90.00

Refinement procedure

Resolution	44.620 - 3.600
R-factor	0.2341
Rwork	0.233
R-free	0.26970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g7h
RMSD bond length	0.002
RMSD bond angle	0.534
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.660
High resolution limit [Å]	3.600	3.600
Rmerge	0.116	0.845
Number of reflections	66110	3055
<I/σ(I)>	10.733
Completeness [%]	98.5	92.3
Redundancy	4	3.3
CC(1/2)		0.624

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.4	295	0.1 M Tris-HCl pH8.4, 180 mM potassium chloride, 50 mM Magnesium chloride, 9% (m/v) PEG 4000