4OIN

Crystal structure of Thermus thermophilus transcription initiation complex soaked with GE23077

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	2013-12-07
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9180
Spacegroup name	C 1 2 1
Unit cell lengths	183.770, 103.200, 294.770
Unit cell angles	90.00, 99.18, 90.00

Refinement procedure

Resolution	48.499 - 2.800
R-factor	0.2081
Rwork	0.206
R-free	0.25170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g7h
RMSD bond length	0.004
RMSD bond angle	0.812
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.143	0.718
Number of reflections	131716
<I/σ(I)>	9.1	1.5
Completeness [%]	99.4	99.5
Redundancy	4.6	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.4	295	100 mM Tris-HCl, pH 8.4, 200 mM potassium chloride, 50 mM magnesium chloride, 9.5% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	8.4	295	100 mM Tris-HCl, pH 8.4, 200 mM potassium chloride, 50 mM magnesium chloride, 9.5% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 295K