5D4D

Crystal structure of Thermus thermophilus product complex for transcription initiation with NAD and CTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	185.000, 103.510, 296.300
Unit cell angles	90.00, 98.27, 90.00

Refinement procedure

Resolution	42.173 - 3.000
R-factor	0.204
Rwork	0.201
R-free	0.25350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g7h
RMSD bond length	0.008
RMSD bond angle	0.952
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.8-1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.050
High resolution limit [Å]	3.000	8.130	3.000
Rmerge	0.119	0.033	0.920
Rmeas	0.132	0.038
Rpim	0.067	0.018	0.535
Total number of observations	869839
Number of reflections	219058
<I/σ(I)>	7.2
Completeness [%]	97.9	99.1	93.7
Redundancy	4	4	3.7
CC(1/2)		0.999	0.677

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