6PCO

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	CCD
Collection date	2012-10-08
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	71.870, 90.523, 103.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.030 - 2.750
R-factor	0.23479
Rwork	0.231
R-free	0.30139
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nnn
RMSD bond length	0.008
RMSD bond angle	1.217
Data reduction software	HKL-3000 (717.1)
Data scaling software	HKL-3000 (717.1)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.030	2.850
High resolution limit [Å]	2.650	2.750
Rmerge	0.058	0.549
Rmeas	0.068	0.642
Rpim	0.034	0.330
Number of reflections	17964	1712
<I/σ(I)>	23.4	4.38
Completeness [%]	98.7	97.44
Redundancy	1.1	1.1
CC(1/2)	0.999	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	285	18% PEG 2250, 0.2 M potassium formate, and 15% butanediol