4XLR

Crystal structure of T.aquaticus transcription initiation complex with CarD containing bubble promoter and RNA

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	2013-11-16
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 43 21 2
Unit cell lengths	289.840, 289.840, 536.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.562 - 4.300
R-factor	0.2767
Rwork	0.275
R-free	0.31000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.959
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]	40.000	40.000	4.300
High resolution limit [Å]	4.150	8.910	4.150
Rmerge	0.208	0.133
Rmeas	0.222	0.142
Rpim	0.137	0.048
Total number of observations	1302221
Number of reflections	171617
<I/σ(I)>	2
Completeness [%]	97.1	98.7	73.9
Redundancy	7.6	8.2	4.8
CC(1/2)		0.993	0.028

Crystallization Conditions

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