1K0J

Pseudomonas aeruginosa phbh R220Q in complex with NADPH and free of p-OHB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-05-05
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	71.845, 139.146, 91.637
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.000 * - 2.200
R-factor	0.221 *
Rwork	0.222
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	22.500 *
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.070	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.130	0.726
Total number of observations	262880 *
Number of reflections	20552 *
Completeness [%]	86.6 *	57.3
Redundancy	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	30 *	100mM potassium phosphate, 0.05 mM glutathion, 30mM sodium sulfite 0.02mM FAD, 450mM ammonium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 303K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)
2	1	drop	KPi	100 (mM)	pH7.0
3	1	drop	glutathione	0.05 (mM)
4	1	drop	sodium solfite	30 (mM)
5	1	drop	FAD	0.02 (mM)
6	1	drop	ammonium sulfate	450 (mM)
7	1	reservoir	ammonium sulfate	900 (mM)