1P1F

Crystal structure of apo 1L-myo-inositol 1-phosphate synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-02-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	153.543, 97.062, 122.064
Unit cell angles	90.00, 125.72, 90.00

Refinement procedure

Resolution	10.000 - 2.600
R-factor	0.195
Rwork	0.190
R-free	0.27800
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.390 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.120 *	0.605 *
Total number of observations	44160 *
Number of reflections	33338
Completeness [%]	98.3 *	96.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5 *	298	J., Stein. A., (2000) Acta Crystallogr., Sect.D, 56, 348. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	ammonium acetate	20 (mM)
3	1	drop	Tris	10 (mM)
4	1	drop	beta-mercaptoethanol	10 (mM)
5	1	reservoir	PEG8000	2-5 (%(v/v))
6	1	reservoir	sodium acetate	100 (mM)	pH4.5