3HO7

Crystal structure of OxyR from Porphyromonas gingivalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2009-02-04
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	55.819, 55.795, 56.711
Unit cell angles	110.63, 102.82, 114.63

Refinement procedure

Resolution	26.940 - 1.580
R-factor	0.22028
Rwork	0.219
R-free	0.24456
Structure solution method	MIR
RMSD bond length	0.003
RMSD bond angle	0.648
Data reduction software	d*TREK
Data scaling software	CrystalClear
Phasing software	PHENIX
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.940
High resolution limit [Å]	1.580	1.580
Rmerge	0.032	0.032
Number of reflections	59646
Completeness [%]	86.2	86.2
Redundancy	3.92	3.92

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	12% PEG 8K, 8% EG, 0.1M HEPES BUFFER, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	12% PEG 8K, 8% EG, 0.1M HEPES BUFFER, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	12% PEG 8K, 8% EG, 0.1M HEPES BUFFER, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	12% PEG 8K, 8% EG, 0.1M HEPES BUFFER, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K