1P6D

STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS IN COMPLEX WITH (3S)-3,4,DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2000-05-18
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	89.933, 89.933, 73.936
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.177
Rwork	0.174
R-free	0.23030 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1ah7
RMSD bond length	0.006
RMSD bond angle	1.268
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.074	0.181
Number of reflections	20598
<I/σ(I)>	23.7
Completeness [%]	99.3	98.3
Redundancy	5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6	298	AMMOUNIUM SULPHATE, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3.75 (mg/ml)
2	1	drop	ammonium sulfate	24.6 (%sat)
3	1	reservoir	ammonium sulfate	40 (%sat)