6NJQ

Structure of TBP-Hoogsteen containing DNA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.01
Spacegroup name	P 1 21 1
Unit cell lengths	41.299, 57.967, 149.752
Unit cell angles	90.00, 96.50, 90.00

Refinement procedure

Resolution	148.789 - 2.750
R-factor	0.2348
Rwork	0.230
R-free	0.27770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qn3
RMSD bond length	0.004
RMSD bond angle	0.715
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	148.790	2.900
High resolution limit [Å]	2.750	2.750
Rpim	0.074	0.244
Number of reflections	18008	2622
<I/σ(I)>	7.3
Completeness [%]	96.5
Redundancy	3
CC(1/2)	0.970	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	40 mM MES, 100 mM KCl, 4 mM MgCl2, 14% glycerol, 300 mM ammonium acetate