6PCP

Mechanism for regulation of DNA binding of Bordetella bronchiseptica BpsR by 6-hydroxynicotinic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-30
Detector	DECTRIS PILATUS3 R 100K-A
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	77.543, 110.571, 273.331
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.086 - 3.200
R-factor	0.2221
Rwork	0.216
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pco
RMSD bond length	0.003
RMSD bond angle	0.662
Data reduction software	HKL-3000 (717.1)
Data scaling software	HKL-3000 (717.1)
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.086	3.310
High resolution limit [Å]	3.200	3.200
Rmerge	0.124	0.185
Rmeas	0.134	0.210
Rpim	0.049	0.097
Number of reflections	18178	1564
<I/σ(I)>	15.18	5.71
Completeness [%]	90.8	79.39
Redundancy	6.4	4
CC(1/2)	0.989	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	285	0.1 M HEPES (pH 7.5), 2 mM 6-HNA, 0.2 M MgCl2, 18.5 % PEG 3350