1P1K

Crystal structure of the 1L-myo-inositol 1-phosphate synthase complexed with NADH in the presence of EDTA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2002-08-09
Detector	MARRESEARCH
Wavelength(s)	1.0093
Spacegroup name	C 1 2 1
Unit cell lengths	151.978, 97.613, 121.717
Unit cell angles	90.00, 126.15, 90.00

Refinement procedure

Resolution	10.000 - 2.100
R-factor	0.213
Rwork	0.209
R-free	0.26100
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.067 *	0.422 *
Total number of observations	161339 *
Number of reflections	82661
Completeness [%]	99.8 *	99.6

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