4XLQ

Crystal structure of T.aquaticus transcription initiation complex containing upstream fork (-11 base-paired) promoter

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	288.230, 288.230, 535.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.807 - 4.600
R-factor	0.2467
Rwork	0.245
R-free	0.28090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.121
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1839))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	4.660
High resolution limit [Å]	4.500	9.670	4.500
Rmerge	0.224	0.113
Total number of observations	1367979
Number of reflections	135196
<I/σ(I)>	1.8
Completeness [%]	99.9	100	99.8
Redundancy	10.1	9.5	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	ammonium sulfate, magnesium chloride, Tris-HCl