1LA2

Structural analysis of Saccharomyces cerevisiae myo-inositol phosphate synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	100
Detector technology	CCD
Collection date	2001-10-11
Detector	MARRESEARCH
Wavelength(s)	0.9790
Spacegroup name	P 21 21 2
Unit cell lengths	155.693, 187.346, 98.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.650
R-factor	0.224 *
Rwork	0.224
R-free	0.28000
Structure solution method	SAD
RMSD bond length	0.004 *
RMSD bond angle	1.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	2.640
High resolution limit [Å]	2.550	2.550
Rmerge	0.105	0.448
Total number of observations	1002153 *
Number of reflections	180676
<I/σ(I)>	10.9	4.3
Completeness [%]	98.6	91
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	291	7% PEG 4000, 0.1M sodium acetate, 5% glycerol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6.4 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)	pH8.
3	1	drop		50 (mM)
4	1	drop	dithiothreitol	1 (mM)
5	1	reservoir	PEG4000	7 (%)
6	1	reservoir	sodium acetate	0.1 (M)	pH4.6
7	1	reservoir	glycerol	5 (%)