5D4C

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-12
Detector	PSI PILATUS 6M
Wavelength(s)	1.075
Spacegroup name	P 1 21 1
Unit cell lengths	185.960, 103.640, 297.420
Unit cell angles	90.00, 98.30, 90.00

Refinement procedure

Resolution	49.196 - 3.280
R-factor	0.2138
Rwork	0.211
R-free	0.25720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h7h
RMSD bond length	0.004
RMSD bond angle	0.810
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	3.360
High resolution limit [Å]	3.300	8.940	3.300
Rmerge	0.185	0.071	0.954
Rmeas	0.197	0.079
Rpim	0.084	0.034	0.441
Total number of observations	892176
Number of reflections	164255
<I/σ(I)>	5.6		1.667
Completeness [%]	96.1	99.9	87.5
Redundancy	5.4	5.5	5
CC(1/2)		0.994	0.776

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