4XLN

Crystal structure of T. aquaticus transcription initiation complex 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	289.259, 289.259, 536.601
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.960 - 4.000
R-factor	0.2821
Rwork	0.280
R-free	0.31490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.853
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]	35.000	35.000	4.140
High resolution limit [Å]	4.000	8.580	4.000
Rmerge	0.263	0.158
Rmeas	0.268	0.161
Rpim	0.182	0.031
Total number of observations	4528253
Number of reflections	189134
<I/σ(I)>	2
Completeness [%]	99.1	99.9	91.3
Redundancy	23.9	26.2	2.7
CC(1/2)		0.998	0.030

Crystallization Conditions

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