4XLP

Crystal structure of T.aquaticus transcription initiation complex containing upstream fork promoter

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-28
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 43 21 2
Unit cell lengths	289.870, 289.870, 537.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.030 - 4.000
R-factor	0.2588
Rwork	0.257
R-free	0.29730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.911
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]	50.030	45.000	4.140
High resolution limit [Å]	4.000	8.600	4.000
Rmerge	0.191	0.097
Total number of observations	2102998
Number of reflections	191386
<I/σ(I)>	2.3
Completeness [%]	100.0	99.9	99.7
Redundancy	11	11.1	8.8

Crystallization Conditions

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