1BYR

CRYSTAL STRUCTURE OF A PHOSPHOLIPASE D FAMILY MEMBER, NUC FROM SALMONELLA TYPHIMURIUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	123
Detector	ADSC
Spacegroup name	P 43 21 2
Unit cell lengths	59.060, 59.060, 111.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.193
Rwork	0.193
R-free	0.25000
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	25.720 *
Phasing software	CCP4
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.400	2.150
High resolution limit [Å]	2.000	2.000
Rmerge	0.039 *	0.082 *
Total number of observations	42490 *
Number of reflections	13546
<I/σ(I)>	15	5.8
Completeness [%]	97.0	96
Redundancy	3.1	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		Zhao, Y., (1997) Protein Sci., 6, 2655. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	drop	ammonium sulfate	1 (M)
3	1	drop	Tris-HCl	50 (mM)