1NF9

Crystal Structure of PhzD protein from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-09-16
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	68.850, 77.030, 82.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.500
R-factor	0.156
Rwork	0.155
R-free	0.22500
Structure solution method	SAD S
RMSD bond length	0.010
RMSD bond angle	0.031
Data reduction software	CrystalClear
Data scaling software	d*TREK
Phasing software	SOLVE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.032	0.097
Total number of observations	357616 *
Number of reflections	33819
<I/σ(I)>	25.6	3.2
Completeness [%]	92.7	80.4
Redundancy	11	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2 *	298	10-20% polyethylene glycol 4000, 0.2M ammonium formate, 0.2% beta-octylglucoside, 1mM aminodeoxychorismate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	MOPS	50 (mM)
2	1	drop	dithiothreitol	1 (mM)
3	1	drop	EDTA	1 (mM)	pH7.2
4	1	drop	protein	17 (mg/ml)
5	1	reservoir	beta-octylglucoside	0.2 (%)