5X22

Crystal structure of Thermus thermophilus transcription initiation complex with GpA and CMPcPP

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	2013-04-02
Detector	ADSC QUANTUM 270
Wavelength(s)	0.918
Spacegroup name	P 1 21 1
Unit cell lengths	186.410, 104.320, 297.290
Unit cell angles	90.00, 98.36, 90.00

Refinement procedure

Resolution	49.022 - 3.350
R-factor	0.21
Rwork	0.208
R-free	0.25030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g7h
RMSD bond length	0.005
RMSD bond angle	0.761
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.410
High resolution limit [Å]	3.333	9.080	3.350
Rmerge	0.197	0.120
Number of reflections	158249
<I/σ(I)>	7.3
Completeness [%]	95.6	99.4	89.1
Redundancy	5.3	5.4	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	100 mM Tris-HCl, pH 8.7, 200 mM potassium chloride, 50 mM magnesium chloride, 10% PEG4000